COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
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Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STK586746
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)Nc1ccc2c(c1)OCCO2
STK850596
Synonyms: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(c2ccc(c(c2)OC)OC)c2c(C1=O)n[nH]c2c1ccccc1O
STK586749
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-methyl-6,7-dihydro-1-benzofuran-4(5H)-one
Smiles: O=C(c1oc2c(c1C)C(=O)CCC2)N1CCc2c(C1)cccc2
STK586750
Synonyms: 4-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1CN1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C)Cl
STK850597
Synonyms: 1-benzyl-2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)carbonyl]-9-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: O=c1c2cc(n(c2nc2n1cccc2C)Cc1ccccc1)C(=O)N1COCC1(C)C
STK586761
Synonyms: 2-[4-(dimethylamino)phenyl]-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc(OC)c(c1)OC)c1ccc(cc1)N(C)C
STK586762
Synonyms: 1-benzyl-N-(2,4-dimethoxyphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1ccc(c(c1)OC)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1
STK586764
Synonyms: 6-{[(4-chlorophenyl)sulfanyl]methyl}-4-hydroxy-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Clc1ccc(cc1)SCc1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1
STK586765
Synonyms: 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine
Smiles: CCN(c1cc(Cl)c2c(c1N)non2)CC
STK850603
Synonyms: 7-chloro-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2Cl
STK586772
Synonyms: 2-[(6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1cc2oc(=O)c(c(c2cc1Cl)C)C
STK850604
Synonyms: 2-methoxyethyl5-{[(4-fluorophenyl)sulfonyl]oxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(cc2)OS(=O)(=O)c1ccc(cc1)F)C
STK586777
Synonyms: N-[(2Z)-4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2(3H)-ylidene]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
Smiles: Clc1ccc(cc1)c1[nH]/c(=N/C(=O)CCn2c(=O)sc3c2cccc3)/sc1C
STK850605
Synonyms: N-(3-methoxyphenyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: COc1cccc(c1)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK850607
Synonyms: ethyl{[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
Smiles: CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Br)C(F)(F)F
STK850608
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(CCNc2cc(C)nc3n2ncc3c2ccccc2OC)ccc1OC
STK586786
Synonyms: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)Oc1cccc(c1)C)C(F)(F)F
STK586789
Synonyms: 10-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccc(cc1)O
STK586792
Synonyms: ethyl2-[(3a'S,6a'R)-3'-benzyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCC2)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2
STK586793
Synonyms: 9-(4-hydroxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)O)C1=C(O)CC(CC1=N2)(C)C
STK850611
Synonyms: 3-(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(2-methylphenyl)propanamide
Smiles: O=C(Nc1ccccc1C)CCn1c(=O)oc2c1cc(Cl)cc2
STK586805
Synonyms: N-[6-chloro-3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl]-2-(thiophen-2-yl)acetamide
Smiles: COc1ccc(cc1)c1c(NC(=O)Cc2cccs2)oc2c(c1=O)cc(cc2)Cl
STK586811
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1
STK850614
Synonyms: 4-(4-bromophenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)Br)c([nH]n2)c1ccccc1O
STK586814
Synonyms: 3-benzyl-2-[(2-hydroxyethyl)amino]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3
STK586815
Synonyms: (4Z)-4-[6-bromo-2-(thiophen-2-yl)-4H-chromen-4-ylidene]-2-(furan-2-yl)-1,3-oxazol-5(4H)-one
Smiles: Brc1ccc2c(c1)/C(=C/1\N=C(OC1=O)c1ccco1)/C=C(O2)c1cccs1
STK586818
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]-2-propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C
STK586820
Synonyms: N-[1-ethyl-4-oxo-3-(thiophen-2-yl)-1,4-dihydroquinolin-2-yl]benzamide
Smiles: CCn1c(NC(=O)c2ccccc2)c(c2cccs2)c(=O)c2c1cccc2
STK586821
Synonyms: N'-[(1E)-1-(1-butyl-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)propyl]-2-chlorobenzohydrazide
Smiles: CCCCN1C(=NC(=O)/C(=C(\NNC(=O)c2ccccc2Cl)/CC)/C1=O)O
STK850616
Synonyms: methyl4-[3,9-dioxo-2-(prop-2-en-1-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: C=CCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)cccc1
STK850618
Synonyms: 4-oxo-3-phenyl-4H-chromen-7-yl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccc2c(c1)occ(c2=O)c1ccccc1
STK586830
Synonyms: N-[3-(1H-indol-3-yl)propanoyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)CCc1c[nH]c2c1cccc2
STK586831
Synonyms: 5-({[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2)/C1=O)Nc1ccc(c(c1)C(=O)O)O
STK586835
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccccc2)/c2c1nc1ccc(cc1c2)C
STK586837
Synonyms: (2-chloro-6-fluorophenyl)(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2CCN(C(=C)c2cc1OC)C(=O)c1c(F)cccc1Cl
STK586839
Synonyms: 4-[5-methyl-2-(pyridin-2-yl)-1H-indol-3-yl]-N-(pyridin-3-ylmethyl)butanamide
Smiles: O=C(NCc1cccnc1)CCCc1c([nH]c2c1cc(C)cc2)c1ccccn1
STK586840
Synonyms: 10-(2,5-dihydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1cc(O)ccc1O
STK586842
Synonyms: N-[(2E)-4,8-dimethylquinazolin-2(1H)-ylidene]-5-(2-phenylethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1n/c(=N/C2=NCN(CN2)CCc2ccccc2)/[nH]c2c1cccc2C
STK586843
Synonyms: 3-chloro-4-[(3,4-dichlorophenyl)amino]-1-(2-methoxyphenyl)-1H-pyrrole-2,5-dione
Smiles: COc1ccccc1N1C(=O)C(=C(C1=O)Cl)Nc1ccc(c(c1)Cl)Cl
STK850620
Synonyms: benzyl(6-bromo-4-oxoquinazolin-3(4H)-yl)acetate
Smiles: O=C(Cn1cnc2c(c1=O)cc(cc2)Br)OCc1ccccc1
STK586852
Synonyms: N'-[7-(4-methoxyphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
Smiles: COc1ccc(cc1)n1c(C)c(c2c1ncnc2NCCN(C)C)C
STK586853
Synonyms: trans-4-[({N-[(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-S-methyl-L-cysteinyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CSC[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2OC)OC
STK586856
Synonyms: 6-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-chromen-2-one
Smiles: Cc1ccc2c(c1)c(CN1CCN(CC1)c1ccccc1)cc(=O)o2
STK586860
Synonyms: 5-(2,3-dimethoxyphenyl)-7-hydroxy-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1c(OC)cccc1C1CC(=Nc2c1c(=O)[nH]c(n2)C)O
STK586869
Synonyms: 4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccc(cc1)c1ccccc1)c1ccccn1
STK586870
Synonyms: 7-hydroxy-5-(4-hydroxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: C#CCSc1nc2N=C(O)CC(c2c(=O)[nH]1)c1ccc(cc1)O
STK586871
Synonyms: N-[(3-methoxyphenyl)carbamoyl]-D-phenylalanine
Smiles: COc1cccc(c1)NC(=O)N[C@@H](C(=O)O)Cc1ccccc1
STK850624
Synonyms: 5-tert-butyl-N-(2-methoxyethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COCCNc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK586873
Synonyms: (4-ethylpiperazin-1-yl)(4,5,6,7-tetrahydro-2H-indazol-3-yl)methanone
Smiles: CCN1CCN(CC1)C(=O)c1[nH]nc2c1CCCC2
STK586874
Synonyms: methyl3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-2-carboxylate
Smiles: COC(=O)c1nc(ccc1Cl)n1nc(cc1C)C
STK586876
Synonyms: 2,2'-disulfanediylbis(4-ethoxyaniline)
Smiles: CCOc1ccc(c(c1)SSc1cc(OCC)ccc1N)N
STK586878
Synonyms: 1-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)amino]propan-2-ol
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCC(O)C
STK586879
Synonyms: N-(2-methoxyethyl)-5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: COCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCCC2
STK586880
Synonyms: (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1ccc(cc1)C(F)(F)F
STK850626
Synonyms: 2-methyl-1-[4-(propan-2-yl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CN1C(=O)c2c(C1c1ccc(cc1)C(C)C)c(=O)c1c(o2)cccc1
STK850627
Synonyms: 2-(4-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
Smiles: CCC(C(=O)Nc1nonc1c1ccc(cc1)C)Oc1ccc(cc1)F
STK586882
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK586883
Synonyms: 3-(1H-benzimidazol-2-yl)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propan-1-one
Smiles: O=C(N1CCN(CC1)C(=O)c1ccco1)CCc1nc2c([nH]1)cccc2
STK586884
Synonyms: 4-hydroxy-1-methyl-7-phenyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1cc([nH]c1n2)c1ccccc1)C
STK586885
Synonyms: 3-[phenyl(phenylamino)methyl]quinoxalin-2-ol
Smiles: Oc1nc2ccccc2nc1C(c1ccccc1)Nc1ccccc1
STK586889
Synonyms: 2-[(4-chloro-3-fluorophenyl)amino]-7-hydroxy[1,3]thiazolo[4,5-b]pyridin-5(4H)-one
Smiles: Clc1ccc(cc1F)Nc1sc2c(n1)[nH]c(=O)cc2O
STK586897
Synonyms: N-[(2E)-3-(3-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1c1cccc(c1)Cl)CS(=O)(=O)C2)CCCc1ccccc1
STK586898
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)CC
STK586901
Synonyms: 6-chloro-7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one
Smiles: CN1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)O
STK586906
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide
Smiles: C=CCOc1ccc(cc1)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK850632
Synonyms: 2-amino-5-(2-fluorophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: O=C1Nc2nc(N)nc(c2C(C1)c1ccccc1F)O
STK586913
Synonyms: 7-(furan-2-ylmethyl)-5,6-dimethyl-N-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(ncn2)Nc1cccnc1)Cc1ccco1
STK586914
Synonyms: 4-(4-methoxyphenyl)-N,N-diphenylpiperazine-1-carboxamide
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)N(c1ccccc1)c1ccccc1
STK586915
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-fluorophenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1cc(Cl)c(cc1O)C
STK586917
Synonyms: (5Z)-6-hydroxy-5-[(1-propyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidin-4(5H)-one
Smiles: CCCn1cc(c2c1cccc2)/C=C\1/C(=NC(=NC1=O)S)O
STK586918
Synonyms: 2-amino-5-(3,4-dimethoxyphenyl)-6-hydroxy-8,8-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c(n2)N)(C)C
STK586920
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)Nc1ccc(c(c1)Cl)OC)C
STK586921
Synonyms: 3-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: CC1CC(=C2C(=Nc3ccccc3N=C2)C1)O
STK586927
Synonyms: 8-(4-chlorophenyl)-10-methyl-11-phenyl-2-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)n1nc(c2c1Oc1ncn3c(c1C2c1ccccc1)nc(n3)c1cccnc1)C
STK586931
Synonyms: 1-(prop-2-en-1-yl)-2-sulfanyl-6-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: C=CCn1c(S)nc(=O)c2c1NCN(C2)CC1CCCO1
STK586932
Synonyms: 6-(4-butoxybenzyl)-9-methoxy-6H-indolo[2,3-b]quinoxaline
Smiles: CCCCOc1ccc(cc1)Cn1c2ccc(cc2c2c1nc1ccccc1n2)OC
STK586933
Synonyms: 3-(4-chlorobenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: Clc1ccc(cc1)CN1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3
STK850636
Synonyms: N-(4-{[2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C
STK586936
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK850638
Synonyms: 2-[(2,3-dimethylphenyl)amino]-4-(4-ethoxyphenyl)-8-methyl-4,9-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: CCOc1ccc(cc1)C1N=C(Nc2cccc(c2C)C)N=c2n1c(=O)cc([nH]2)C
STK586941
Synonyms: 3-benzyl-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: Cc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1
STK586943
Synonyms: 5-tert-butyl-2-methyl-3-phenyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1ccccc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C
STK850639
Synonyms: (2Z)-5-(4-bromobenzyl)-2-[(6-methylpyridin-2-yl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Brc1ccc(cc1)CC1S/C(=N\c2cccc(n2)C)/N=C1O
STK586945
Synonyms:
Smiles: CCCCc1ccc(cc1)NC(=O)N[C@@H](C(CC)C)C(=O)O
STK586951
Synonyms: 7-(4-benzylpiperazin-1-yl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)Cc2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C
STK586956
Synonyms: 5-hydroxy-2-methyl-N-(pyridin-2-yl)-4-(pyridin-3-yl)-7-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CC1=C(C(=O)Nc2ccccn2)C(C2=C(CC(CC2=N1)c1cccs1)O)c1cccnc1
STK586962
Synonyms: 1-benzyl-9-methyl-2-[(2-methylpiperidin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: CC1CCCCN1C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK586963
Synonyms: (2'S,3R,7a'S)-5-chloro-N-(2,5-dimethoxyphenyl)-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(Cl)cc1)CCC2)OC
STK586967
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Oc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK850643
Synonyms: 7-methyl-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)cc(cc3)C)/s1)C
STK586974
Synonyms: (2E,5Z)-2-{[4-chloro-2-(trifluoromethyl)phenyl]imino}-5-[(1-methyl-1H-indol-3-yl)methylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Clc1ccc(c(c1)C(F)(F)F)/N=C\1/S/C(=C\c2cn(c3c2cccc3)C)/C(=N1)O
STK586977
Synonyms: N-(4-chlorophenyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Clc1ccc(cc1)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK586982
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1)c([nH]n2)c1cc(C)cc(c1O)C
STK586983
Synonyms: methylN-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)N1C[C@H](C)C[C@@H](C1)C
STK586987
Synonyms: 2-(3-hydroxypropyl)-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)OC)c(=O)c1c(o2)cccc1
STK850645
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-hydroxy-1,3-diazaspiro[5.5]undeca-1,3-diene-5-carbonitrile
Smiles: N#CC1C(=NC(=NC21CCCCC2)N1CCc2c(C1)cccc2)O
STK586989
Synonyms: 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1)C(F)(F)F
STK850647
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(4-bromobenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)Br)N
STK586991
Synonyms: N-(3,4-dichlorophenyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(Nc2ccc(c(c2)Cl)Cl)n2c(n1)c(c1ccccc1)c(n2)C
STK586992
Synonyms: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK586995
Synonyms: 2-{[(5E)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1n[nH]/c(=N\C(=O)C)/s1
STK586997
Synonyms: 2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)acetamide
Smiles: O=C(CN1C(=O)S/C(=C/c2ccccc2)/C1=O)NC1C=CS(=O)(=O)C1
STK587001
Synonyms: (2S)-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}amino)(phenyl)ethanoicacid
Smiles: O=C(N[C@@H](c1ccccc1)C(=O)O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK850648
Synonyms: N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COCCNc1cc(C)nc2n1nc(c2c1ccccc1OC)C
STK587006
Synonyms: N-[(2E)-6-(diethylsulfamoyl)-1,3-benzothiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: CCN(S(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)C1CC1)/[nH]2)CC
STK850650
Synonyms: 2-[4-(2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1)CC
STK587012
Synonyms: methyl[1-(4-methoxyphenyl)-3-methyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]acetate
Smiles: COC(=O)Cc1cc(=O)c2c([nH]1)n(nc2C)c1ccc(cc1)OC
STK587013
Synonyms: 5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-ol
Smiles: CC(Cc1nc2oc3c(c2c2c1CCCC2)ncnc3O)C
STK587015
Synonyms: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
Smiles: N1CCN(CC1)CC1Cc2c(O1)cccc2
STK587025
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)NCCC1=CCCCC1
STK587027
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Oc1cc(CSc2nnnn2c2ccccc2)nc(n1)N1CCN(CC1)c1ccccc1F
STK850654
Synonyms: 8-(2-methoxyphenyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1ccccc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C
STK587031
Synonyms: 4-hydroxy-8-(2-methoxy-5-methylphenyl)-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1ccc(cc1n1c(C)cn2c1nc1c2c(O)nc(=O)n1C)C
STK587035
Synonyms: 2-(7,8-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(3,3-diphenylpropyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NCCC(c1ccccc1)c1ccccc1
STK587038
Synonyms: 8-methyl-4-[(2E)-2-(2,4,5-trimethoxybenzylidene)hydrazinyl]-5H-pyrimido[5,4-b]indole
Smiles: COc1cc(OC)c(cc1/C=N/Nc1ncnc2c1[nH]c1c2cc(cc1)C)OC
STK850656
Synonyms: 5-methoxy-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(onc1C(F)(F)F)c1ccc(cc1O)OC
STK587041
Synonyms: 8-ethoxy-N-[2-(piperidin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCCCC1
STK587047
Synonyms: 7-(4-fluorophenyl)-3-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccc(cc1)F
STK587049
Synonyms: 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenylquinolin-4-ol
Smiles: CN1CCN(CC1)Cc1c(nc2c(c1O)cc(cc2)C)c1ccccc1
STK587054
Synonyms: 7-chloro-1-(3-hydroxyphenyl)-6-methyl-2-propyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK587056
Synonyms: 3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(2-methoxyphenyl)propanamide
Smiles: COc1ccccc1NC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK587059
Synonyms: N-[5-hydroxy-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)c1cccnc1)CCc1ccccc1
STK850659
Synonyms: 3-(2-methoxyethyl)-1,7-dimethyl-8-(3-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1cccc(c1)C)C
STK587062
Synonyms: (5Z)-3-[2-(4-methoxyphenyl)ethyl]-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)CCN1C(=S)S/C(=C\c2ccc3c(c2)CC(O3)C)/C1=O
STK587063
Synonyms: 4-{[(2Z)-3-(2,5-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1cc(C)ccc1C)CS(=O)(=O)C2
STK850661
Synonyms: (3Z)-3-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-methyl-1,3-dihydro-2H-indol-2-one
Smiles: COc1cc(ccc1OC)c1nn2c(n1)s/c(=C\1/c3ccccc3N(C1=O)C)/c2=O
STK850662
Synonyms: 7-(1H-imidazol-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2n1cncc1
STK587065
Synonyms: 7-(4-chlorophenyl)-10-(furan-2-yl)-2-hydroxy-5,5a,8a,9,9a,10-hexahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-6,8(4aH,7H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccco2)sc(n1)O
STK587068
Synonyms: N-[3-(naphthalen-1-yl)-4-oxo-4H-chromen-2-yl]furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1oc2ccccc2c(=O)c1c1cccc2c1cccc2
STK587069
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C
STK587070
Synonyms: 2-[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1)oc(=O)c1c2cccc1
STK850663
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCC1=CCCCC1
STK587078
Synonyms: 2-amino-6-(4-fluorophenyl)-5-methyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(N)nc(c(c1c1cc(OC)c(c(c1)OC)OC)C)c1ccc(cc1)F
STK587081
Synonyms: 7-chloro-1-(4-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(CC(c2ccccc2)O)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl
STK587082
Synonyms: methylN-{[4-(methoxycarbonyl)piperidin-1-yl]carbonyl}-L-leucinate
Smiles: COC(=O)C1CCN(CC1)C(=O)N[C@H](C(=O)OC)CC(C)C
STK587083
Synonyms: 3'-(3-chloro-4-methylphenyl)-6'-hydroxy-4-methyl-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: O=C1N=C(O)C2(C(=O)N1c1ccc(c(c1)Cl)C)CN(C)c1c(C2)c2ccccc2cc1
STK587084
Synonyms: (2E)-2-cyano-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)C(C)C)/C(=O)/N=c\1/[nH]nc(s1)C
STK587087
Synonyms: methylN-[(2,4-dimethylphenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1ccc(cc1C)C
STK850664
Synonyms: 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cccc(c1)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK587089
Synonyms: methylN-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc2c(c1)nc(o2)c1cccnc1)CC(C)C
STK587092
Synonyms: (2E)-3-(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoicacid
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)/C=C/C(=O)O
STK587094
Synonyms: [(5S)-5-(cyclohexylcarbamoyl)-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: COc1ccc(cc1C1=NO[C@@](C1)(CC(=O)O)C(=O)NC1CCCCC1)OC
STK850665
Synonyms: 8-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(c(c1)OC)OC
STK587098
Synonyms: (3R)-N-{(2S)-1-[(4-methoxyphenyl)amino]-1-oxopropan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C
STK587099
Synonyms: 3-[(3a'S,6a'R)-5'-butyl-7-ethyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2CC
STK587100
Synonyms: 2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2O)C(C)C
STK587106
Synonyms: 2-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O)C(=O)O
STK587107
Synonyms: 4-{[(2Z)-5,5-dioxido-3-(2,4,6-trimethylphenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1c(C)cc(cc1C)C)CS(=O)(=O)C2
STK587109
Synonyms: N,N-diethyl-2-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethanamine
Smiles: CCN(CCOc1nc(nc2c1oc1c2cccc1)c1ccccc1)CC
STK587110
Synonyms: (2E)-3-(4-chlorophenyl)-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: Clc1ccc(cc1)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C
STK587113
Synonyms: 4-{[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccccc1c1n[nH]c(=S)n1/N=C/c1c(C)nn(c1C)c1ccccc1
STK850668
Synonyms: N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Smiles: O=C(C1COc2c(O1)cccc2)Nc1nonc1c1ccc(cc1)C
STK587114
Synonyms: 11-(furan-2-yl)-2-(4-methoxybenzyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1
STK587115
Synonyms: methylN-[(5-bromo-3-methyl-1H-indol-2-yl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)c1[nH]c2c(c1C)cc(cc2)Br
STK587116
Synonyms: 2,5-dimethyl-8-[2-(morpholin-4-yl)ethyl]-3-phenyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine
Smiles: Cc1nc2c(c3ccccc3)c(nn2c2c1CCN2CCN1CCOCC1)C
STK850670
Synonyms: 7-(3,5-dimethylphenyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nc(n1)c1ccco1
STK587117
Synonyms: [4-(4-fluorophenyl)piperazin-1-yl](4,5,6,7-tetrahydro-2H-indazol-3-yl)methanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]nc2c1CCCC2
STK587119
Synonyms: 9-(2,4-dimethoxyphenyl)-8-hydroxy-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydroacridin-1(2H)-one
Smiles: COc1ccc(c(c1)OC)C1C2=C(O)CC(CC2=NC2=C1C(=O)CC(C2)(C)C)(C)C
STK587122
Synonyms: 1-(3-chlorophenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK587125
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-[4-(4-methoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)C=C
STK587128
Synonyms: 3-(5-fluoro-2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)OC)c([nH]n2)c1cc(F)ccc1O
STK850673
Synonyms: 1-benzyl-2-[(4-methylpiperidin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: CC1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1
STK587131
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)c(C)cc(c1)C
STK587134
Synonyms: 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C1Sc2ccccc2N=C2C1=C(O)c1c2cccc1
STK587138
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dihydroxy-3-(3-methoxyphenyl)pyrimidin-4(3H)-one
Smiles: COc1cccc(c1)n1c(O)nc(c(c1=O)C1NCCc2c1cc(OC)c(c2)OC)O
STK587141
Synonyms: 2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Smiles: O=Cc1c(nc2n(c1=O)cccc2C)N1CCC2(CC1)OCCO2
STK587142
Synonyms: 4-(furan-2-yl)-5-hydroxy-2-[(2-oxo-2-phenylethyl)sulfanyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccccc2)N=C2C(=C(O)CCC2)C1c1ccco1
STK587143
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)OC(F)(F)F)C
STK850675
Synonyms: N-(4-fluorophenyl)-2-hydroxy-4-methyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide
Smiles: COc1cc(cc(c1OC)OC)C1NC(=NC(=C1C(=O)Nc1ccc(cc1)F)C)O
STK587145
Synonyms: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-[(2-chloro-4-fluorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(cc1Cl)F)c1ccc(cc1)Cl
STK587147
Synonyms: 1-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-2,5-dione
Smiles: Cc1ccc(cc1)c1nn2c(n1)nc(cc2N1C(=O)CCC1=O)O
STK587150
Synonyms: 1-{1-[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: Cc1nc(NC2CCCCC2)cc(n1)n1ncc(c1C)C(=O)C
STK587154
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-[4-(4-methoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccccc1Cl
STK587155
Synonyms: 5-[(2-methylbenzyl)oxy]-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: Oc1cc(ccc1c1onc(c1c1ccccc1)C)OCc1ccccc1C
STK587156
Synonyms: methyl4-{[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)Cn1c(O)nc2c(c1=O)cccc2
STK587158
Synonyms: ethyl4-[(5-fluoro-1H-indol-2-yl)carbonyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)F
STK587159
Synonyms: ethylN-[({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)OC)COc1ccc(cc1)Cl
STK587162
Synonyms: N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
Smiles: O=C(c1ccc(cc1)OC(F)(F)F)NCCc1nnc2n1cccc2
STK587168
Synonyms: 6-hydroxy-7-(2-hydroxyethyl)-3-methyl-8-[(2-methylpropyl)amino]-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(NCC(C)C)nc2c1c(O)nc(=O)n2C
STK850679
Synonyms: (4E)-4-[(3-methoxyphenyl)imino]-6-(trifluoromethyl)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1cccc(c1)/N=c\1/nc(N)nc([nH]1)C(F)(F)F
STK587172
Synonyms:
Smiles: CCC([C@H](C(=O)N/N=C/c1cccc2c1nccc2)N)C
STK587179
Synonyms: methylN-[(2,4-dimethoxybenzyl)carbamoyl]-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)NCc1ccc(cc1OC)OC
STK587185
Synonyms: 5-({2-[(2-fluorobenzyl)oxy]benzyl}amino)-2-(morpholin-4-ium-4-yl)benzoate
Smiles: [O-]C(=O)c1cc(NCc2ccccc2OCc2ccccc2F)ccc1[NH+]1CCOCC1
STK587191
Synonyms: 5-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)c1[nH]n(c(=O)c1)c1nc(C)cc(n1)C
STK587192
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Cc1ccc(cc1)c1n2CCOCc2c2c1c(=O)n(C)c(=O)n2C
STK587200
Synonyms: 3-(furan-2-ylmethyl)-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cn1c2ccccc2c2c1c(=O)n(cn2)Cc1ccco1
STK587204
Synonyms: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NCCc1cccc(c1)F
STK587205
Synonyms: 5-(2-chloro-6-fluorophenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: CSc1nc(=O)c2c(n1C)N=C(CC2c1c(F)cccc1Cl)O
STK587206
Synonyms: 3-chloro-4-[(2-ethylphenyl)amino]-1-(2-methoxyphenyl)-1H-pyrrole-2,5-dione
Smiles: CCc1ccccc1NC1=C(Cl)C(=O)N(C1=O)c1ccccc1OC
STK587212
Synonyms: 7'-{[(E)-(1-ethyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: CCN1C(=O)N=C(/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O
STK587215
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CC(C)CC(C2)C)/C1=O
STK587216
Synonyms: 8-(3-chlorophenyl)-11-(4-methoxyphenyl)-2,10-dimethyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)C)c1cccc(c1)Cl
STK850682
Synonyms: 5-tert-butyl-7-(morpholin-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCOCC2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK850683
Synonyms: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: CC1OC(C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C
STK587222
Synonyms: 5-(2-chlorobenzyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccccc2Cl)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK850684
Synonyms: 4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-[3-(propan-2-yloxy)propyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CC(OCCCN1C(=O)c2c(C1c1cccc(c1)Cl)c([nH]n2)c1ccccc1O)C
STK587227
Synonyms: (4-butoxy-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-3-yl)(morpholin-4-yl)methanone
Smiles: CCCN1C(=C(OCCCC)c2c(S1(=O)=O)cccc2)C(=O)N1CCOCC1
STK587228
Synonyms: methyl4-[8-hydroxy-6-(2-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1O
STK587233
Synonyms: (3aR,6aS)-5-(4-acetylphenyl)-3-(4-chlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C
STK850685
Synonyms: 8-(3-fluorophenyl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)F)c1ccc(cc1)OC
STK587239
Synonyms: 2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(o1)[C@H](C(C)C)N
STK587240
Synonyms: 1-{2-[(4-chlorophenoxy)methyl]-10-(furan-2-yl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl}ethanone
Smiles: Clc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C
STK587242
Synonyms: 4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-6,7-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)c2ccccc2F)c2c(o1)cc(c(c2)C)C
STK587243
Synonyms: 4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrimido[5,4-a]pyrrolizine-9-carbonitrile
Smiles: N#Cc1c2ncnc(c2c2n1CCC2)N1CCN(CC1)C
STK587244
Synonyms: 4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)c2ccccc2F)c2c(o1)cc1c(c2)CCCC1
STK850686
Synonyms: N-{4-[benzyl(methyl)sulfamoyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C
STK587251
Synonyms: 1-[10-(furan-2-yl)-8-methyl-2-phenyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1ccccc1
STK587258
Synonyms: 6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-ol
Smiles: COc1ccc(cc1)n1nc(c2c1nc(cc2O)c1ccccc1OC)C
STK587259
Synonyms: tert-butyl(3S)-3-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1ccc2c(c1)OCO2
STK587266
Synonyms: {(5S)-5-[(2,6-dimethylphenyl)carbamoyl]-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)/C=C/c1ccccc1)C(=O)Nc1c(C)cccc1C
STK850689
Synonyms: methyl2-amino-4-{4-[2-(diethylamino)-2-oxoethoxy]phenyl}-5-methylthiophene-3-carboxylate
Smiles: CCN(C(=O)COc1ccc(cc1)c1c(C)sc(c1C(=O)OC)N)CC
STK587272
Synonyms: 2-(pyridin-3-yl)-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: O=c1c2CCCc2nc2n1nc([nH]2)c1cccnc1
STK587275
Synonyms: (5-bromofuran-2-yl)(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)c1ccc(o1)Br
STK850690
Synonyms: 2-(naphtho[2,1-b]furan-1-yl)acetamide
Smiles: NC(=O)Cc1coc2c1c1ccccc1cc2
STK587278
Synonyms: 4-hydroxy-1-methyl-7-phenyl-8-(2-phenylethyl)-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)CCc1ccccc1)c1ccccc1)C
STK850692
Synonyms: {[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetonitrile
Smiles: N#CCOc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C
STK587283
Synonyms: 2-hydroxy-N'-[(E)-(2-hydroxy-8-methylquinolin-3-yl)methylidene]benzohydrazide
Smiles: Oc1nc2c(cc1/C=N/NC(=O)c1ccccc1O)cccc2C
STK587285
Synonyms: 6-chloro-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-2H-chromen-2-one
Smiles: Clc1ccc2c(c1)c(CN1CCC3(CC1)OCCO3)cc(=O)o2
STK587288
Synonyms: 4-[benzyl(methyl)amino]-3,5-dichloropyridine-2-carboxylicacid
Smiles: OC(=O)c1ncc(c(c1Cl)N(Cc1ccccc1)C)Cl
STK587290
Synonyms: 2-({2-[(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(C(N1C(=S)S/C(=C/c2ccccc2F)/C1=O)C)Nc1ccc(cc1C(=O)O)O
STK587293
Synonyms: N-(cyclooctylcarbamoyl)-D-phenylalanine
Smiles: O=C(NC1CCCCCCC1)N[C@@H](C(=O)O)Cc1ccccc1
STK587294
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide
Smiles: O=C(NC1CCS(=O)(=O)C1)CCN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O
STK850699
Synonyms: ethyl(7-hydroxy-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(c1ccccc1)c(n2)c1ccccc1
STK587298
Synonyms: 1'-[2-(3,4-dimethoxyphenyl)ethyl]-2'-hydroxy-1,2,3,4,5,5a-hexahydro-4'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-4',6',8(1'H)-trione
Smiles: COc1ccc(cc1OC)CCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2)O
STK587302
Synonyms: 5,6-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)NCCCN1CCCC1=O
STK587303
Synonyms: 3-(2-fluorophenyl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N=C2C)cccc3)CC(C1)c1ccccc1F
STK587305
Synonyms: 8-(3-chlorophenyl)-10-methyl-11-phenyl-2-(pyridin-2-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1ccccc1)nc(n3)c1ccccn1)C
STK587308
Synonyms: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Smiles: Fc1cccc(c1CSc1nnc(o1)[C@@H]1CCCN1)Cl
STK850701
Synonyms: 3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1OC)C)CC
STK850702
Synonyms: 2-(4-methoxyphenoxy)-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: COc1ccc(cc1)OCC(=O)/N=c\1/scc([nH]1)c1ccccc1
STK850704
Synonyms: N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
Smiles: Fc1cccc(c1)Nc1ncnc2c1cc(s2)C
STK587316
Synonyms: 1-(2,3-dimethylphenyl)-6-(2-methoxyethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COCCN1CNc2c(C1)c(=O)nc(n2c1cccc(c1C)C)S
STK587320
Synonyms: 12-(2-methoxyphenyl)-2-(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c1nc(nn1cn2)c1cccnc1)O
STK850707
Synonyms: 8-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)Cl)c1ccc(cc1)OC
STK587332
Synonyms: (3S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CCCNC(=O)[C@H](C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2
STK850708
Synonyms: 1-(2,3-dihydro-1H-indol-1-yl)-2-(naphtho[2,1-b]furan-1-yl)ethanone
Smiles: O=C(N1CCc2c1cccc2)Cc1coc2c1c1ccccc1cc2
STK587337
Synonyms: N'-[(4-fluorophenyl)carbonyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: O=C(c1ccc(cc1)F)NNC(=O)C12CCC(C2(C)C)(C(=O)O1)C
STK587338
Synonyms: 2-({2-[(5E)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-5-hydroxybenzoicacid
Smiles: Fc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)C(C(=O)Nc1ccc(cc1C(=O)O)O)C
STK587341
Synonyms: 8-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1cc(ccc1OC)CCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C
STK587344
Synonyms: 2-(2,6-dichlorophenyl)-N-[3-(1H-tetrazol-1-yl)phenyl]acetamide
Smiles: O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(c1)n1cnnn1
STK587347
Synonyms: 11-(2-chlorophenyl)-2,10-dimethyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nc2n(n1)cnc1c2C(c2ccccc2Cl)c2c(O1)n(nc2C)c1ccccc1
STK850711
Synonyms: 1-(3-chlorophenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1
STK587348
Synonyms: N-benzyl-5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2NCc1ccccc1)C(C)(C)C
STK587351
Synonyms: (5Z)-2-[(2-bromophenyl)amino]-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\C=C\c1ccco1)Nc1ccccc1Br
STK587352
Synonyms: 5-methyl-N-[2-(morpholin-4-yl)ethyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CCC2)NCCN1CCOCC1
STK587355
Synonyms: (2E)-4-amino-2-[(5-chloro-2-fluorophenyl)imino]-N-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: Clc1ccc(c(c1)/N=c\1/sc(c([nH]1)N)C(=O)Nc1ncc(o1)C)F
STK850712
Synonyms: 2-(2-{[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1cc(C)nc2n1ncc2c1ccc(cc1)Cl
STK587357
Synonyms: 2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: COc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCC(=C)C
STK587365
Synonyms: 2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl(5,6-dimethoxy-1H-indol-2-yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCn2c1nc1c2cccc1
STK587366
Synonyms: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: COc1ccccc1c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccccc1C
STK587367
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-[3-(morpholin-4-yl)propyl]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1CCCN1CCOCC1
STK850713
Synonyms: 3-(2-methoxyphenyl)-5-methyl-7-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2N1CCCC1
STK587369
Synonyms: 8-(3-chlorophenyl)-2,10-dimethyl-11-(4-methylphenyl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)C)c1cccc(c1)Cl
STK587373
Synonyms: (2E)-2-(4-hydroxyquinazolin-2-yl)-3-[5-(morpholin-4-yl)furan-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)N1CCOCC1)/c1nc(O)c2c(n1)cccc2
STK587382
Synonyms: 9-methyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2C
STK587384
Synonyms: 7-fluoro-1-(3-methoxyphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(c2nnc(s2)CC(C)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F
STK587391
Synonyms: 5,10,10-trimethyl-N-(pyridin-4-ylmethyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)NCc1ccncc1
STK850717
Synonyms: N,N-dibenzyl-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
STK587392
Synonyms: N'-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C)C
STK587397
Synonyms: [(benzylamino)(4-methoxyphenyl)methyl](2-phenylethyl)phosphinicacid
Smiles: COc1ccc(cc1)C(P(=O)(CCc1ccccc1)O)NCc1ccccc1
STK850722
Synonyms: butyl[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]carbamate
Smiles: CCCCOC(=O)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C
STK850723
Synonyms: (4-tert-butylphenyl){3-[(2-methoxyphenyl)amino]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}methanone
Smiles: COc1ccccc1Nc1n[nH]c(=S)n1C(=O)c1ccc(cc1)C(C)(C)C
STK587405
Synonyms: 2-(4-bromothiophen-2-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Smiles: Brc1csc(c1)C1NC(=O)c2c(O1)cccc2
STK587406
Synonyms: N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)CCn1nnc2c(c1=O)cccc2
STK850725
Synonyms: 2-[(2-methoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: COc1ccccc1CNc1nn2c([nH]1)nc(cc2=O)C
STK587416
Synonyms: (6E)-6-(2-phenylhydrazinylidene)-6-(pyridin-2-yl)hexanoicacid
Smiles: OC(=O)CCCC/C(=N\Nc1ccccc1)/c1ccccn1
STK587417
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1c(oc2c1cccc2)C(=O)Nc1cccc(c1)C
STK587418
Synonyms: 12-(furan-2-yl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c2nc(nn2cn1)c1ccccn1
STK587419
Synonyms: 5-hydroxy-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2-oxo-2,3,4,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(cc1)C1CC(=C2C(=NC(=O)CC2C(=O)Nc2cccc(c2)C)C1)O
STK587420
Synonyms: N-[3-(4-methylphenyl)-4-oxo-4H-chromen-2-yl]-3-nitrobenzamide
Smiles: Cc1ccc(cc1)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])oc2c(c1=O)cccc2
STK587422
Synonyms: 3,3,11-trimethyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N=C2C)cccc3)CC(C1)(C)C
STK850730
Synonyms: 4-(3-methyl-4-phenyl-1,2-oxazol-5-yl)benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)c1onc(c1c1ccccc1)C
STK587424
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-methylacetamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)C)CN1C(=S)S/C(=C\c2ccccc2F)/C1=O
STK587429
Synonyms: 7-methyl-2-sulfanyl-4a,5,6,7,8,9a-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC1CCC2=C(C1)SC1C2C(=O)NC(=N1)S
STK587433
Synonyms: methylN-[(4-methylbenzyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)NCc1ccc(cc1)C
STK587434
Synonyms: (3S)-N-{(2S)-1-[(furan-2-ylmethyl)amino]-3-methyl-1-oxobutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)N[C@H](C(=O)NCc1ccco1)C(C)C
STK587437
Synonyms: N-(2,5-dimethoxyphenyl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)OC
STK587438
Synonyms: 9-methyl-2-(pyridin-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccn1
STK850731
Synonyms: 3-(2-hydroxyphenyl)-5-(2-phenylethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(cc(c1OC)OC)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK587444
Synonyms: 3-amino-N'-[(E)-2H-chromen-3-ylmethylidene]propanehydrazide(non-preferredname)
Smiles: NCCC(=O)N/N=C/C1=Cc2c(OC1)cccc2
STK587446
Synonyms: 2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-fluorobenzyl)acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)NCc1ccc(cc1)F
STK587447
Synonyms: 2,5-dimethyl-3-phenyl-8-(pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine
Smiles: Cc1nc2c(c3ccccc3)c(nn2c2c1CCN2Cc1ccccn1)C
STK587449
Synonyms: 2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-cyclopropylacetamide
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)NC1CC1
STK587450
Synonyms: 3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1c(OC)cc(cc1OC)C1CC(=C2C(=Nc3ccccc3N=C2)C1)O
STK587453
Synonyms: 1-hydroxy-9-oxo-9H-xanthen-3-yl2-[(tert-butoxycarbonyl)amino]butanoate
Smiles: CCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)NC(=O)OC(C)(C)C
STK587460
Synonyms: 6-benzyl-2,5-dimethyl-3-phenyl-7-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1nc2n(c(c1Cc1ccccc1)N1CCCCC1)nc(c2c1ccccc1)C
STK587464
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OCCC(C)C)c([nH]n2)c1cc(Cl)c(cc1O)C
STK587465
Synonyms: 1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c(=O)c1c(o2)c(C)cc(c1)C
STK587469
Synonyms: 2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]-N,N-dimethylethanamine
Smiles: CCc1nc(OCCN(C)C)c2c(n1)c1ccccc1o2
STK587471
Synonyms: N-[4-(acetylamino)phenyl]-6-chloro-4-oxo-4H-chromene-2-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)ccc(c2)Cl
STK850736
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NCc1cccnc1
STK850737
Synonyms: methyl[7-hydroxy-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)c1ccc(cc1)OC
STK587476
Synonyms: 3-(4-fluorobenzyl)-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1n2C)Cc1ccc(cc1)F
STK587478
Synonyms: N,N-dibutyl-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCN(C(=O)c1cc2c(n1CCCOC)nc1n(c2=O)cccc1C)CCCC
STK587480
Synonyms: 6-chloro-7-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
Smiles: CC1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)C
STK587487
Synonyms: 5-[(2,4-dichlorobenzyl)oxy]-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl
STK850738
Synonyms: 3-(2-methoxyethyl)-8-(2-methoxyphenyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)c2n3cc(n(c3nc2n(c1=O)C)c1ccccc1OC)C
STK587488
Synonyms: 3-phenylquinoline-2,4-diol
Smiles: Oc1nc2ccccc2c(c1c1ccccc1)O
STK587498
Synonyms: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2cccs2)/C1=O)NC1C=CS(=O)(=O)C1
STK850740
Synonyms: 3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)OC)C)CC
STK850741
Synonyms: 5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1cc(O)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F
STK587506
Synonyms: 3-(3-chlorophenyl)-7-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1cccc(c1)c1nnc2n1cnc1c2cnn1c1ccccc1C
STK587507
Synonyms: methylN-[(4-formylpiperazin-1-yl)carbonyl]-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(CC1)C=O
STK587508
Synonyms: tert-butyl{(1S)-3-(methylsulfanyl)-1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]propyl}carbamate
Smiles: CSCC[C@@H](c1nnc(o1)SC)NC(=O)OC(C)(C)C
STK850743
Synonyms: 1-benzyl-9-methyl-2-[(3-methylpiperidin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: CC1CCCN(C1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK587516
Synonyms: 4-{(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C/c2ccc3c(c2)CC(O3)C)/C1=O
STK587522
Synonyms: 2-({[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1nc2c([nH]1)cccc2
STK587525
Synonyms: 8,9-bis(4-methoxyphenyl)-2-methylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)c1oc2c(c1c1ccc(cc1)OC)c1nc(nn1cn2)C
STK587526
Synonyms: 4-(furan-2-yl)-5-hydroxy-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)C)N=C2C(=C(O)CCC2)C1c1ccco1
STK587530
Synonyms: N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-cyclopropyl-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)C1CC1)N/N=C/c1c(F)cccc1Cl
STK587536
Synonyms: 5-[(2-chloro-6-fluorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1OC)c1c(C)noc1c1ccc(cc1O)OCc1c(F)cccc1Cl
STK587546
Synonyms: 2-(3,4-dichlorophenyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1Cl)c1nn2c(n1)c1cnn(c1nc2)C
STK587550
Synonyms: ethyl(3-cyano-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl)acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(cn2)C#N
STK587551
Synonyms: (5Z)-5-{4-[(2-chlorobenzyl)oxy]benzylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(cc2)OCc2ccccc2Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK587552
Synonyms: 5-bromo-N-{2-[4-(4-methylphenyl)-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}furan-2-carboxamide
Smiles: CC(C1OCCC(C1)(CCNC(=O)c1ccc(o1)Br)c1ccc(cc1)C)C
STK587556
Synonyms: 3-(4-methoxyphenyl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N=C2C)C1)O
STK850748
Synonyms: (5Z)-5-(2,4-dichlorobenzylidene)-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C\c2ccc(cc2Cl)Cl)/C1=O
STK587570
Synonyms: methyl4-({5-[4-(benzyloxy)-2-hydroxyphenyl]-3-methyl-1H-pyrazol-4-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1
STK587571
Synonyms: 3-(furan-2-yl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C=Nc3c(N=C2CC(C1)c1ccco1)cccc3
STK587572
Synonyms: 6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl4-{[(benzyloxy)carbonyl]amino}butanoate
Smiles: O=C(Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)CCCNC(=O)OCc1ccccc1
STK850749
Synonyms: N-benzyl-6-chloro-4-oxo-N-(pyridin-2-yl)-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)N(c1ccccn1)Cc1ccccc1
STK587577
Synonyms: 5-(2-hydroxy-3,4-dimethylphenyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C
STK587578
Synonyms: N'-(5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylbenzene-1,4-diamine
Smiles: CN(c1ccc(cc1)Nc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C)C
STK587582
Synonyms: ethyl4-[(3-{4-[(4-fluorobenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)F
STK587584
Synonyms: 1-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}amino)cyclohexanecarboxylicacid
Smiles: O=C(NC1(CCCCC1)C(=O)O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK587587
Synonyms: 6-hydroxy-3-methyl-8-[4-(4-methylbenzyl)piperazin-1-yl]-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccc(cc1)C)C
STK587591
Synonyms: 1-(1-{6-[(3-chlorophenyl)amino]-2-methylpyrimidin-4-yl}-5-methyl-1H-pyrazol-4-yl)ethanone
Smiles: Cc1nc(Nc2cccc(c2)Cl)cc(n1)n1ncc(c1C)C(=O)C
STK587594
Synonyms: 7-bromo-1-(4-tert-butylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1noc(c1)C
STK587603
Synonyms: 1-(4-ethylphenyl)-3-{4-hydroxy-6-[(pyrimidin-2-ylsulfanyl)methyl]pyrimidin-2-yl}guanidine
Smiles: CCc1ccc(cc1)NC(=N)Nc1nc(O)cc(n1)CSc1ncccn1
STK587607
Synonyms: 8-amino-3-(2-methoxyphenyl)-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: COc1ccccc1N1CCN2C(C1)C1(Cc3c2ccc(c3)N)C(=O)N(C)C(=O)N(C1=O)C
STK587608
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2N1CCN(CC1)C
STK587609
Synonyms: ethyl4-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1ccccc1)C
STK587612
Synonyms: 10,10-dimethyl-2-(thiophen-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)c1cccs1
STK587613
Synonyms: 4-[4-(propan-2-yloxy)phenoxy][1,2,4]triazolo[4,3-a]quinoxaline
Smiles: CC(Oc1ccc(cc1)Oc1nc2ccccc2n2c1nnc2)C
STK587616
Synonyms: 7-[(2-chlorobenzyl)oxy]-3-(3-methoxyphenoxy)-2-methyl-4H-chromen-4-one
Smiles: COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccccc1Cl
STK587623
Synonyms: 6-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2ccc(cc2)C)ncn3)C1)O
STK587625
Synonyms: 3-(3-chlorophenyl)-7-methyl-1-[2-(piperidin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CCN1CCCCC1)c1cccc(c1)Cl
STK587630
Synonyms: (5E)-5-{[1-(2-fluorophenyl)-1H-pyrrol-2-yl]methylidene}-2-hydroxy-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: OC1=N/C(=C/c2cccn2c2ccccc2F)/C(=O)N1c1ccccc1
STK587631
Synonyms: N-[(4-ethylphenyl)carbamoyl]-D-valine
Smiles: CCc1ccc(cc1)NC(=O)N[C@@H](C(=O)O)C(C)C
STK587636
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccccc1F
STK850755
Synonyms: 2-[4-(2-ethoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]-5-methoxyphenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OC
STK587639
Synonyms: 6-cyclohexyl-2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCCC1)c1ccccc1
STK587645
Synonyms: N-(2,5-dimethoxyphenyl)-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)C1ON=C(C1)/C=C/c1ccccc1)OC
STK587649
Synonyms: 5-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzoicacid
Smiles: S=C1S/C(=C/c2ccc(c(c2)O)O)/C(=O)N1c1ccc(c(c1)C(=O)O)O
STK587650
Synonyms: 2-{[(2Z)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: N#C/C(=C/c1ccc2c(c1)CC(O2)C)/C(=O)Nc1sc2c(c1C(=O)N)CCCC2
STK587652
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1nnc(s1)C)O
STK587653
Synonyms: (1Z)-1-{[(3,4-dimethoxyphenyl)sulfonyl]methylidene}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc(ccc1OC)S(=O)(=O)/C=C/1\NCCc2c1cc(OC)c(c2)OC
STK587655
Synonyms: 2-(azepan-1-yl)-N-[(2Z)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=c/1\scc([nH]1)c1ccccc1)CN1CCCCCC1
STK587665
Synonyms: N-(2-chloro-6-fluorobenzyl)-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: COc1ccc2c(c1OC)oc(=O)c(c2C)CC(=O)NCc1c(F)cccc1Cl
STK850759
Synonyms: 2-{[(4-methylphenyl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4-ol
Smiles: Cc1ccc(cc1)SCc1cc(O)n2c(n1)nc1c2cccc1
STK850760
Synonyms: N-(4-chloro-2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Smiles: O=C(C1COc2c(O1)cccc2)Nc1ccc(cc1[N+](=O)[O-])Cl
STK850761
Synonyms: 2-{4-[5-tert-butyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)C)C(C)(C)C
STK587671
Synonyms: 4-({[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2cccs2)/C1=O)Nc1ccc(c(c1)O)C(=O)O
STK587679
Synonyms: 10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1ncn2
STK587680
Synonyms: ethyl1-(3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]amino}quinoxalin-2-yl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1nc2ccccc2nc1Nc1sc(c(c1C(=O)OCC)C)C
STK850763
Synonyms: 3-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1cc(O)n2c(n1)c(cn2)c1ccccc1Cl
STK587684
Synonyms: 6-chloro-2-[(4-fluorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Fc1ccc(cc1)CNc1nn2c([nH]1)nc(c(c2=O)Cl)C
STK850765
Synonyms: 2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)COc1ccc(cc1)Cl
STK587689
Synonyms: 2-[2-(2-methoxyphenyl)-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanol
Smiles: OCCn1c2ncn3c(c2c(c1c1ccccc1)c1ccccc1)nc(n3)c1ccccc1OC
STK587692
Synonyms: N-(2-chlorophenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1ccccc1Cl
STK850767
Synonyms: 3-benzyl-8-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1F)Cc1ccccc1
STK587698
Synonyms: N-(2-benzyl-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)Cc1ccccc1)CCc1ccccc1
STK587699
Synonyms: tert-butyl(3S)-3-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: COc1cccc(c1)NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
STK587700
Synonyms: (E)-(4-chlorophenyl){1-[4-(dimethylammonio)phenyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1ccc(cc1)[NH+](C)C)/[O-]
STK587711
Synonyms: N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)NCCCN(C)C
STK587712
Synonyms: N-butyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: CCCCNc1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK587714
Synonyms: 3-(1H-benzimidazol-2-yl)-1-benzyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Nc1c(c2nc3c([nH]2)cccc3)c2c(n1Cc1ccccc1)nc1c(n2)cccc1
STK587717
Synonyms: N-{[3-(trifluoromethyl)phenyl]carbamoyl}-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1cccc(c1)C(F)(F)F)C
STK587718
Synonyms: 9-(4-methoxyphenyl)-6-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)C
STK587719
Synonyms: 1-(4-fluorophenyl)-6-(furan-2-ylmethyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Fc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)Cc1ccco1
STK587720
Synonyms: N-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C
STK850770
Synonyms: 2-[(2-bromo-4-methylphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
Smiles: Cc1ccc(c(c1)Br)Nc1nc(=O)c2c(s1)nccc2
STK587726
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1cc([nH]n1)c1cc(Cl)ccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
STK850771
Synonyms: 2-methoxyethyl5-{[(3,4-dimethoxyphenyl)carbonyl]oxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: COCCOC(=O)c1c2cc(ccc2n(c1C)C)OC(=O)c1ccc(c(c1)OC)OC
STK587728
Synonyms: 5-(2-fluorophenyl)-7-hydroxy-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: OC1=Nc2nc(C)[nH]c(=O)c2C(C1)c1ccccc1F
STK850772
Synonyms: (2Z)-2-(2,3-dimethoxybenzylidene)-6-[2-(morpholin-4-yl)-2-oxoethoxy]-1-benzofuran-3(2H)-one
Smiles: COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N1CCOCC1
STK850773
Synonyms: 2-(azepan-1-ylcarbonyl)-1-benzyl-9-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)N1CCCCCC1
STK587729
Synonyms: N-{2-[(4-chlorophenyl)carbonyl]-1-benzofuran-3-yl}-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1ccccc1O)cccc2
STK587733
Synonyms: 2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl](phenyl)methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1nnnn1c1ccc(cc1)Cl)c1ccccc1)O2
STK850776
Synonyms: 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)ncc1Oc1cccc(c1)OC
STK587738
Synonyms: 4-(methylamino)tetrahydrothiophene-3-ol1,1-dioxide
Smiles: CNC1CS(=O)(=O)CC1O
STK587746
Synonyms: 2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-N-(3,5-dimethylphenyl)acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1cc(C)cc(c1)C
STK850780
Synonyms: 2-(6-chloro-1,3-benzodioxol-5-yl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Smiles: Clc1cc2OCOc2cc1C1NC(=O)c2c(O1)cccc2
STK587748
Synonyms: [(5S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-5-(cyclohexylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: O=C([C@@]1(ON=C(C1)c1ccc(cc1)OCC(=O)N)CC(=O)O)NC1CCCCC1
STK850781
Synonyms: 2-methyl-3-phenyl-7-(4-phenylpiperazin-1-yl)-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)c2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C)C
STK587754
Synonyms: 5,6-dimethyl-N-[3-(morpholin-4-yl)propyl]-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(NCCCN1CCOCC1)ncn2)c1ccccn1
STK587757
Synonyms: N-(2-bromophenyl)-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Smiles: Brc1ccccc1Nc1ncnc2c1c(C)c(o2)C
STK587759
Synonyms: (5Z)-5-(1-acetyl-5-phenylpyrazolidin-3-ylidene)-6-hydroxy-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C\2/NN(C(C2)c2ccccc2)C(=O)C)/C1=O)O
STK850784
Synonyms: ethyl(2E)-2-{[(2E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N/C(=O)/C=C/c2ccc(c(c2)OC)OCC)/[nH]c1C
STK587761
Synonyms: 5-chloro-N-[3-(dimethylamino)propyl]-1H-indole-2-carboxamide
Smiles: CN(CCCNC(=O)c1cc2c([nH]1)ccc(c2)Cl)C
STK587764
Synonyms: 8-(4-chlorophenyl)-2,11-di(furan-2-yl)-10-methyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)n1nc(c2c1Oc1ncn3c(c1C2c1ccco1)nc(n3)c1ccco1)C
STK587765
Synonyms: 2-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: Clc1ccc(c(c1)N1Cc2c(C1=N)cccc2)C
STK850786
Synonyms: 3-benzyl-8-(3-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)F)Cc1ccccc1
STK587768
Synonyms: 6-amino-4-(3-methylthiophen-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1sccc1C)c([nH]n2)C(F)(F)F
STK587772
Synonyms: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-1H-indole-2-carboxamide
Smiles: CCN1CCCC1CNC(=O)c1cc2c([nH]1)cccc2OC
STK587777
Synonyms: N-[3-(dimethylamino)propyl]-4-methoxy-1H-indole-2-carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NCCCN(C)C
STK587780
Synonyms: 5-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(CCNc2cc(nc3n2ncc3c2ccccc2)C(C)(C)C)ccc1OC
STK587783
Synonyms: 4-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl]-2,6-dimethylmorpholine
Smiles: CC1OC(C)CN(C1)c1nc(nc(c1)n1nc(cc1C)C)c1ccccc1
STK587785
Synonyms: 5-(2-hydroxy-4,5-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C
STK850791
Synonyms: 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCCC1
STK587790
Synonyms: 6'-hydroxy-3',12-dimethyl-15,16-dihydro-2'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',7(3'H)-trione
Smiles: O=C1N=C(O)C2(C(=O)N1C)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C
STK587791
Synonyms: 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(3-methoxypropyl)acetamide
Smiles: COCCCNC(=O)COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
STK587793
Synonyms: 8-hydrazinyl-6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: NNc1nc2c(n1Cc1cccc3c1cccc3)c(O)nc(=O)n2C
STK587794
Synonyms: N-[(2-chlorophenyl)carbamoyl]-L-phenylalanine
Smiles: O=C(Nc1ccccc1Cl)N[C@H](C(=O)O)Cc1ccccc1
STK587796
Synonyms: 3-(1H-benzimidazol-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
Smiles: CN1CCC(CC1)N(C(=O)CCn1cnc2c1cccc2)C
STK850793
Synonyms: 2-(benzylamino)-5,6,7,8-tetrahydroquinazolin-4-ol
Smiles: Oc1nc(NCc2ccccc2)nc2c1CCCC2
STK850794
Synonyms: 7-methyl-4-(morpholin-4-ylmethyl)-2H-chromen-2-one
Smiles: Cc1ccc2c(c1)oc(=O)cc2CN1CCOCC1
STK850795
Synonyms: 2-methyl-N-[2-(morpholin-4-yl)ethyl]-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCN2CCOCC2)CCC1
STK587804
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-(2-methylpropyl)quinoline-3-carboxamide
Smiles: CC(CNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br)C
STK587805
Synonyms: (2E)-3-(furan-2-yl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)prop-2-en-1-one
Smiles: O=C(N1CCC2(CC1)NCCc1c2[nH]cn1)/C=C/c1ccco1
STK587807
Synonyms: 3-chloro-N-(7-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)benzamide
Smiles: COc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1cccc(c1)Cl
STK587808
Synonyms: (5Z)-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=NC(=NC2=O)O)O)/C1=O)S
STK587811
Synonyms: N-[2-(dimethylamino)ethyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)NCCN(C)C
STK587812
Synonyms: 5-[(4-chlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccc(cc1)Cl
STK587815
Synonyms: N-{2-[(3-fluoro-4-methylphenyl)carbonyl]-1-benzofuran-3-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(c(c1)F)C)O
STK587817
Synonyms: N-[(4-chlorobenzyl)carbamoyl]-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCc1ccc(cc1)Cl
STK587820
Synonyms: 7-[(3-chlorobenzyl)oxy]-3-(4-methoxyphenyl)-4H-chromen-4-one
Smiles: COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1cccc(c1)Cl
STK587822
Synonyms: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methoxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK587824
Synonyms: 1-(4-chlorophenyl)-2-(pyridin-4-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc(cc1)C1N(Cc2ccncc2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK587825
Synonyms: N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C
STK587830
Synonyms: 2,6-dihydroxy-3-propyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4(3H)-one
Smiles: CCCn1c(O)nc(c(c1=O)C1NCCc2c1cccc2)O
STK587832
Synonyms: 2-[7-(2-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: Oc1ccccc1c1nn2c(n1)c1cnn(c1nc2)c1ccccc1Cl
STK587833
Synonyms: N-[(2E)-4,7-dimethylquinazolin-2(1H)-ylidene]-5-(2-phenylethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc2c(c1)[nH]/c(=N\C1=NCN(CN1)CCc1ccccc1)/nc2C
STK587837
Synonyms: N-(5-chloro-2-methoxyphenyl)-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C)Cl
STK587838
Synonyms: 6-(2-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-ol
Smiles: COc1ccccc1c1cc(O)c2c(n1)n(nc2C)c1ccccc1
STK587844
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK587847
Synonyms: 7-(3-chloro-4-methylphenyl)-2-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1Cl)n1ncc2c1ncn1c2nc(n1)CCc1ccccc1
STK587852
Synonyms: 1-{5-methyl-1-[2-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}ethanone
Smiles: CC1CCCCN1c1nc(C)nc(c1)n1ncc(c1C)C(=O)C
STK587855
Synonyms: 4-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
Smiles: CN(C(c1ccco1)CNC(=O)c1ccc(cc1)Br)C
STK587857
Synonyms: 4-[({4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}carbonyl)amino]-2-hydroxybenzoicacid
Smiles: O=C1NC(=O)/C(=C/c2ccc(cc2)C(=O)Nc2ccc(c(c2)O)C(=O)O)/S1
STK850802
Synonyms: 3-{[(2,3-dimethylphenyl)amino]methyl}-6-methylquinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CNc1cccc(c1C)C
STK587867
Synonyms: methylN-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(c(c1)Cl)F
STK587869
Synonyms: N-(2-{[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}phenyl)propanamide
Smiles: CCC(=O)Nc1ccccc1N/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)O
STK850803
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1cccs1)CC1CCCO1
STK587876
Synonyms: 2-{[2-(dimethylamino)ethyl]amino}-3-(2-phenylethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CN(CCNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3)C
STK587880
Synonyms: 3-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc1CCCCc1c2O
STK587881
Synonyms: N-[3-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)propanoyl]-beta-alanine
Smiles: O=C(CCn1c(O)nc2c(c1=O)cccc2)NCCC(=O)O
STK587885
Synonyms: methyl2-{[(Z)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N/C=C\1/C(=NN=C1O)C
STK587888
Synonyms: 9-methoxy-6-(2-phenoxyethyl)-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccccc1
STK587889
Synonyms: N-(6-chloro-1,3-benzothiazol-2-yl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc2c(c1)sc(n2)NC(=O)c1n[nH]c(c1)c1ccccc1O
STK587892
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-N-phenylpyridine-4-carboxamide
Smiles: O=C(N(c1ccccc1)Cc1cc(=O)[nH]c2c1cccc2)c1ccncc1
STK587893
Synonyms: 4-[5-(furan-2-yl)-3'-(4-methylphenyl)-1'-phenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1N=C(CC1c1cn(nc1c1ccc(cc1)C)c1ccccc1)c1ccco1
STK850807
Synonyms: 6,8-dimethyl-4-oxo-N-[(2Z)-5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
Smiles: C=CCSc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)c(C)cc(c3)C)/s1
STK587902
Synonyms: 2,2'-[(8-chloro[1]benzofuro[3,2-d]pyrimidin-4-yl)imino]diethanol
Smiles: OCCN(c1ncnc2c1oc1c2cc(cc1)Cl)CCO
STK587909
Synonyms: 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(CCNC(=O)c2sc3c(c2N)ccc(n3)c2ccco2)ccc1OC
STK587910
Synonyms: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valylglycine
Smiles: OC(=O)CNC(=O)[C@H](C(C)C)NC(=O)c1cc2c(n1C)ccc(c2)Cl
STK850812
Synonyms: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-6-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)ccc(c2)C
STK850813
Synonyms: 4-[3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzenesulfonamide
Smiles: CCn1cc(c(n1)c1n[nH]c(=S)n1c1ccc(cc1)S(=O)(=O)N)Cl
STK587912
Synonyms: N-[(2,2-diphenylethyl)carbamoyl]-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCC(c1ccccc1)c1ccccc1
STK587916
Synonyms: 4-(4-cyclopentylpiperazin-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)C2CCCC2)n2c(n1)c1c(C)cc(nc1n2)C
STK587918
Synonyms: 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl2,2-dimethylpropanoate
Smiles: O=C(C(C)(C)C)Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F
STK850814
Synonyms: 3-chloro-1-(4-iodophenyl)-4-[methyl(phenyl)amino]-1H-pyrrole-2,5-dione
Smiles: Ic1ccc(cc1)N1C(=O)C(=C(C1=O)Cl)N(c1ccccc1)C
STK587920
Synonyms: (3R,3'S,5'R)-5-fluoro-N-(4-methoxyphenyl)-5'-[2-(methylsulfanyl)ethyl]-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: CSCC[C@H]1C[C@@H]([C@]2(N1)C(=O)Nc1c2cc(F)cc1)C(=O)Nc1ccc(cc1)OC
STK587922
Synonyms: N'-[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)C
STK587925
Synonyms: 6-chloro-4-oxo-N-(4-sulfamoylphenyl)-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N
STK587926
Synonyms: (5Z)-5-(1-acetyl-5-phenylpyrazolidin-3-ylidene)-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\2/NN(C(C2)c2ccccc2)C(=O)C)/C1=O)O
STK587929
Synonyms: N-[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C
STK587930
Synonyms: N-[(3,5-dimethoxyphenyl)carbamoyl]-L-phenylalanine
Smiles: COc1cc(NC(=O)N[C@H](C(=O)O)Cc2ccccc2)cc(c1)OC
STK587931
Synonyms: N-[(9-oxo-9H-fluoren-4-yl)carbonyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)c1cccc2c1c1ccccc1C2=O)C
STK587933
Synonyms: (5Z)-3-(4-fluorobenzyl)-2-hydroxy-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1cc2OCOc2cc1/C=C/1\N=C(N(C1=O)Cc1ccc(cc1)F)O
STK587936
Synonyms: 6,7-dimethoxy-2-(4-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)Cc1ccc(cc1)C
STK587945
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CC(CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C)C
STK850816
Synonyms: 2-methoxy-6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)quinoline
Smiles: COc1nc2ccc(cc2cc1c1noc(n1)c1ccccc1)C
STK587946
Synonyms: methylN-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc2c(c1)nc(o2)c1cccnc1)C
STK850817
Synonyms: 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-(morpholin-4-yl)ethanone
Smiles: O=C(N1CCOCC1)Cc1coc2c1cc(Cl)c(c2)C
STK587947
Synonyms: 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C
STK850819
Synonyms: (1-hydroxy-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)(4-propoxyphenyl)methanone
Smiles: CCCOc1ccc(cc1)C(=O)c1nc2c(n1O)CCCC2
STK587955
Synonyms: 4-(2,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2-thiol
Smiles: Clc1ccc(c(c1)Cl)C1NC(=NC2=C1CCc1c2cccc1)S
STK850821
Synonyms: 2-{4-[4-(2-ethoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]-3-hydroxyphenoxy}acetohydrazide
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCC(=O)NN
STK850823
Synonyms: 2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
Smiles: O=C(c1nc(ncc1C)/N=c/1\oc2c([nH]1)cccc2)Nc1cccc(c1)C(F)(F)F
STK587968
Synonyms: 2-methyl-3-phenyl-9-(piperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCCCC2)CCCC1
STK850825
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yldimethylcarbamate
Smiles: O=C(N(C)C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O
STK587974
Synonyms: [amino(4-chlorophenyl)methyl](2-phenylethyl)phosphinicacid
Smiles: Clc1ccc(cc1)C(P(=O)(CCc1ccccc1)O)N
STK587977
Synonyms: 8-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1n2C)N1CCN(CC1)c1ccccc1OC
STK587980
Synonyms: (3E)-3-[4-(dimethylamino)benzylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C\c1ccc(cc1)N(C)C)cccc3
STK850826
Synonyms: 8,10-dimethyl-4-(piperidin-1-yl)-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCCCC2)n2c(n1)c1c(C)cc(nc1n2)C
STK850827
Synonyms: 2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2O)CCCC1
STK850828
Synonyms: 2-[(4-methoxyphenyl)amino]-8-methyl-4-phenyl-4H-pyrimido[1,2-a][1,3,5]triazin-6-ol
Smiles: COc1ccc(cc1)NC1=NC(n2c(=N1)nc(C)cc2O)c1ccccc1
STK587985
Synonyms: 2-{5-[(3-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: NCCc1nnc(o1)SCc1cccc(c1)F
STK850829
Synonyms: 1,6,7-trimethyl-8-(2-methylphenyl)-3-(2-methylprop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(=C)Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccccc1C
STK850831
Synonyms: 3-(2-methoxyethyl)-8-(2-methoxyphenyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)c2n3c(C)c(n(c3nc2n(c1=O)C)c1ccccc1OC)C
STK587989
Synonyms: 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)NCc1ccccn1)C
STK587990
Synonyms: N-benzyl-6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1)c1cc(=O)c2c(o1)cc(c(c2)Cl)C
STK850832
Synonyms: 4-oxo-N-(2-{[3-(trifluoromethyl)phenyl]carbamoyl}-1-benzofuran-3-yl)-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1c(oc2c1cccc2)C(=O)Nc1cccc(c1)C(F)(F)F
STK587992
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)Nc1ccc2c(c1)OCCO2
STK587993
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CSc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK850834
Synonyms: 2-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1cccnc1)c(=O)c1c(o2)cccc1
STK587998
Synonyms: 2-[4-(4-methoxyphenoxy)-1H-pyrazol-3-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccccc1C
STK850835
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)/N=c\1/sc2c([nH]1)cccc2
STK850839
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1ccc2c(c1)OCCO2)C
STK588005
Synonyms: 4'-amino-7-oxo-2,3,6,6',7,7'-hexahydrospiro[1,4-dioxino[2,3-f]indole-8,2'-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline]-3'-carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc2OCCOc2c1)cc1c(c3)OCO1
STK588008
Synonyms: 3-[(3a'S,6a'R)-5'-(butan-2-yl)-7-chloro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2Cl)C
STK588013
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-3-(4-methoxyphenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1O[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C
STK588014
Synonyms: 6-tert-butyl-4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)ccc(c2)C(C)(C)C
STK850842
Synonyms: (2E)-N-[(2Z)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide
Smiles: O=C(/N=c\1/[nH]nc(s1)SCC(=O)N1CCc2c1cccc2)/C=C/c1ccccc1
STK850843
Synonyms: 5-methyl-3-(4-methylphenyl)-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2Nc1ccncc1
STK850845
Synonyms: N-(2-methoxyphenyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1ccccc1OC
STK588027
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(COc2ccc(cc2)C)nnc1SCc1ccc(cc1)Br
STK850846
Synonyms: 2-[2-amino-5-(2-methoxyphenyl)pyrimidin-4-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: COc1ccccc1c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)C)N
STK588033
Synonyms: ethyl3-{[2-(4-oxoquinazolin-3(4H)-yl)butanoyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)C(n1cnc2c(c1=O)cccc2)CC
STK588037
Synonyms: 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(tetrahydrofuran-2-ylmethyl)heptan-1-amine
Smiles: CC(CCC(c1ccc2c(c1)OCO2)CCNCC1CCCO1)C
STK588045
Synonyms: 2-[(2E)-{[5-(4-bromophenyl)furan-2-yl]methylidene}hydrazinylidene]-2,3-dihydro-1H-benzimidazole
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=N/N=c/1\[nH]c2c([nH]1)cccc2
STK588047
Synonyms: 1-(2-methylprop-2-en-1-yl)-6-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CC(=C)Cn1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1
STK588049
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)C(C)C)c([nH]n2)c1cc(Cl)c(cc1O)C
STK588055
Synonyms: N,N-dimethyl-N'-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)ethane-1,2-diamine
Smiles: CN(CCNc1c2CCCCc2nc2n1nc(c2c1ccccc1)C)C
STK588057
Synonyms: 5,10,10-trimethyl-N-(2-methylpropyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CC(CNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)C
STK588058
Synonyms: 5-hydroxy-2-({4-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCCN1C(=S)S/C(=C/c2cccs2)/C1=O
STK588060
Synonyms: 4-[2-(pyridin-2-yl)-1H-indol-3-yl]butanoicacid
Smiles: OC(=O)CCCc1c([nH]c2c1cccc2)c1ccccn1
STK588069
Synonyms: N-(1-hydroxybutan-2-yl)-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCC(NC(=O)c1nn2c(n1)c1c(nc2)sc2c1CC(C)CC2)CO
STK588071
Synonyms: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-1-(3-fluorophenyl)ethanone
Smiles: Fc1cccc(c1)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2
STK850852
Synonyms: 5-(4-ethoxyphenyl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: CCOc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C(/c1ccncc1)\C
STK588074
Synonyms: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2C)C)NCc1ccncc1
STK588076
Synonyms: 5-{[(3Z)-6-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-5-oxopentanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCCC(=O)O)/c2c1nc1ccc(cc1c2)C
STK588077
Synonyms: 4-[(4-ethylpiperazin-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1c(C)cc(c2)C
STK850854
Synonyms: 2-methyl-3-phenyl-5-propyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(NCc2ccccn2)n2c(n1)c(c1ccccc1)c(n2)C
STK588079
Synonyms: 4-imino-5-(2-methoxyphenyl)-3-(2-methylpropyl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c(=N)n(cn2)CC(C)C)O
STK588083
Synonyms: N-(4-chlorophenyl)-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCc1c(C)nc2n(c1Nc1ccc(cc1)Cl)nc(c2c1ccccc1)C
STK850858
Synonyms: 2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(ncnc1C(F)(F)F)c1ccc(cc1O)OCC(=C)C
STK588085
Synonyms: 2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Smiles: O=C(Cn1nnc2c(c1=O)cccc2)Nc1ccc(cc1)OC(F)(F)F
STK588086
Synonyms: 2-[(2,5-dimethylphenyl)sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1cc(C)ccc1C
STK588087
Synonyms: (1S,2S)-N'-[(E)-(2-chloroquinolin-3-yl)methylidene]-2-phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1cc2ccccc2nc1Cl
STK588088
Synonyms: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine
Smiles: OC(=O)[C@@H](NC(=O)N1CC(=Nc2c1cccc2)O)C
STK588089
Synonyms: 3-{[(2-methylphenyl)amino]methyl}quinolin-2(1H)-one
Smiles: Cc1ccccc1NCc1cc2ccccc2[nH]c1=O
STK588090
Synonyms: 3-methyl-2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Smiles: Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1
STK850859
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(Nc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C)C
STK850860
Synonyms: 1-benzyl-2-[(2-methylpiperidin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: CC1CCCCN1C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1
STK588093
Synonyms: 2-[(3a'S,6a'R)-7-chloro-5'-cyclohexyl-5-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2cc(C)cc1Cl
STK588097
Synonyms: 2,8,10-trimethyl-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)C/C=C/c2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C
STK588098
Synonyms: 4-(3-chloro-4-fluorophenyl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cc(ccc1F)n1c(=S)[nH]nc1c1[nH]nc(c1)C1CC1
STK588100
Synonyms: 4-(4-ethylphenyl)-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: CCc1ccc(cc1)C1N=C(N)N=c2n1c1ccccc1[nH]2
STK588102
Synonyms: 3-(1H-benzimidazol-2-yl)-N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]propanamide
Smiles: O=C(CCc1nc2c([nH]1)cccc2)NCCC(c1ccco1)c1ccc(cc1)F
STK588103
Synonyms: 2-[(dimethylamino)methyl]-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
Smiles: CN(Cc1nc(O)c2c(n1)c1ccccc1CC2(C)C)C
STK588108
Synonyms: N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C)NCc1ccccc1
STK588109
Synonyms: (1R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Smiles: CN[C@@H]1CC[C@@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl
STK588111
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-ethoxybenzamide
Smiles: CCOc1ccc(cc1)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK850867
Synonyms: 3-cyclohexyl-7-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nnc1C1CCCCC1
STK588116
Synonyms: 7-chloro-1-(3,4-dichlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: O=C1N(Cc2cccnc2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1ccc(c(c1)Cl)Cl
STK850868
Synonyms: 2-methyl-3-phenyl-5-(propan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCc2cccnc2)n2c(n1)c(c1ccccc1)c(n2)C)C
STK850869
Synonyms: 1-benzyl-N-(1-methoxypropan-2-yl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCC(NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)C
STK588122
Synonyms: N-[5-hydroxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-nitrobenzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])n2c(n1)nc(n2)C(F)(F)F
STK588123
Synonyms: 4-[(E)-{[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O
STK588126
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(10H-phenothiazin-10-yl)ethanone
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)CSc1nnc(n1N)c1[nH]nc2c1CCC2
STK588127
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-methylethanethioamide
Smiles: CNC(=S)/C=C/1\NCCc2c1cc(OC)c(c2)OC
STK850872
Synonyms: 1-(2-{[(2E)-4,7-dimethylquinazolin-2(1H)-ylidene]amino}-4-methylpyrimidin-5-yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]/c(=N\c1ncc(c(n1)C)C(=O)C)/nc2C
STK850873
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-6-hydroxy-7-methyl-1-benzofuran-3(2H)-one
Smiles: O=C1/C(=C/c2ccco2)/Oc2c1ccc(c2C)O
STK588134
Synonyms: N-[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: COc1ccc(cc1)CCN1/C(=N/C(=O)C(C)C)/SC2C1CS(=O)(=O)C2
STK588138
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1
STK850874
Synonyms: 4-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1ccccc1O
STK588139
Synonyms: ethyl{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)Cl
STK850876
Synonyms: N-{3-[(furan-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2
STK588146
Synonyms: 2-methyl-3-phenyl-N-[4-(propan-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2Nc2ccc(cc2)C(C)C)CCC1
STK588151
Synonyms: 2-(furan-2-yl)-9,9-dimethyl-12-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1ccco1
STK588153
Synonyms: N-benzyl-N'-{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}ethanediamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)C(=O)NCc1ccccc1
STK588155
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)NCCc1ccc(cc1)S(=O)(=O)N)O
STK588162
Synonyms: 6-amino-4-hydroxy-1-(4-methoxybenzyl)pyrimidin-2(1H)-one
Smiles: COc1ccc(cc1)Cn1c(N)cc(nc1=O)O
STK850877
Synonyms: 2-methyl-3-phenyl-7-(4-phenylpiperazin-1-yl)-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)c2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C
STK588165
Synonyms: N-(4-ethoxyphenyl)-2-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: CCOc1ccc(cc1)N(C(=O)C(C)C)Cc1cc2cc(C)ccc2[nH]c1=O
STK588168
Synonyms: 3,7-bis(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1ccc(cc1)Cl
STK588169
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol
Smiles: Clc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)Br
STK588170
Synonyms: 2-{(E)-[(2E)-(4,6-dimethylpyrimidin-2(1H)-ylidene)hydrazinylidene]methyl}-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one
Smiles: Cc1cc(C)[nH]/c(=N\N=C\C2=C(O)CC(CC2=O)c2ccco2)/n1
STK588171
Synonyms: 1-[10-(4-methoxyphenyl)-8-methyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccc(cc1)C1C(=C(C)Oc2c1c1nc(nn1cn2)c1cccs1)C(=O)C
STK850880
Synonyms: 7-(2,5-dimethylbenzyl)-1,3-dimethyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(c(c1)Cn1c(CN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C)C
STK588173
Synonyms: N-[2-(diethylamino)ethyl]-5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCN(CCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCC2)CC
STK850881
Synonyms: 3-(4-methylphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(OC)c(cc1OC)OC)c1ccc(cc1)C
STK588177
Synonyms: (3Z)-1-(2,6-dichlorophenyl)-3-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)propan-2-one
Smiles: O=C(Cc1c(Cl)cccc1Cl)/C=C/1\NCCc2c1cc1OCOc1c2
STK588178
Synonyms: 4-(4-chloro-3-methylphenoxy)-N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}butanamide
Smiles: O=C(NCc1nnc2n1cc(Cl)cc2C(F)(F)F)CCCOc1ccc(c(c1)C)Cl
STK588179
Synonyms: 2-(benzylamino)-8-methyl-4-phenyl-4,9-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: Cc1[nH]c2=NC(=NC(n2c(=O)c1)c1ccccc1)NCc1ccccc1
STK588183
Synonyms: 5-fluoro-3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
Smiles: Fc1ccc2c(c1)c(C)c(o2)C(=O)Nc1nonc1c1ccccc1
STK588184
Synonyms: N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan
Smiles: O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CCn1nnc2c(c1=O)cccc2
STK588186
Synonyms: methylN-[(2,2-diphenylethyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCC(c1ccccc1)c1ccccc1
STK850885
Synonyms: 2-(1,3-benzothiazol-2-yl)-N,N-diethylpyridine-3-carboxamide
Smiles: CCN(C(=O)c1cccnc1c1nc2c(s1)cccc2)CC
STK588192
Synonyms: (2Z)-1-phenyl-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: O=C(c1ccccc1)/C=C/1\NCCc2c1cc1OCCCOc1c2
STK588194
Synonyms: 3'-butyl-6'-hydroxy-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CCCCN1C(=O)N=C(C2(C1=O)Cc1ccccc1N1C2COCC1)O
STK588195
Synonyms: 6-cyclohexyl-1-(3,4-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCCC1)c1ccc(c(c1)C)C
STK588196
Synonyms: 1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OCCC(C)C)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK588197
Synonyms: methyl4-({[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)COc1ccc2c(c1)oc(=O)c(c2C)C
STK850886
Synonyms: 2-(benzylsulfonyl)-6-fluoro-4-methylquinazoline
Smiles: Fc1ccc2c(c1)c(C)nc(n2)S(=O)(=O)Cc1ccccc1
STK588199
Synonyms: 7-(4-methoxyphenyl)-5,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: COc1ccc(cc1)n1c(C)c(c2c1ncnc2NCCN1CCOCC1)C
STK588200
Synonyms: 2-(2,5-dimethylphenyl)-5-(4-fluorophenyl)-4-phenyl-1H-imidazole
Smiles: Fc1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1cc(C)ccc1C
STK588209
Synonyms: 11-methyl-3-(2-methylphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N=C2C)cccc3)CC(C1)c1ccccc1C
STK850888
Synonyms: 4-(2-fluorophenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(c2ccccc2F)c2c(C1=O)n[nH]c2c1ccccc1O
STK588212
Synonyms: (5Z)-4-hydroxy-5-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-thiazole-2(5H)-thione
Smiles: Oc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\SC(=S)N=C1O
STK850889
Synonyms: 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(CCNc2cc(C)nc3n2ncc3c2ccc(cc2)Cl)ccc1OC
STK588215
Synonyms: 4-oxo-3-phenyl-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCC1)oc(c(c2=O)c1ccccc1)C(F)(F)F
STK588220
Synonyms: 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: CN1CCN(CC1)C(=O)CCCn1nnc2c(c1=O)cccc2
STK588221
Synonyms: (E)-{2-(4-chlorophenyl)-1-[4-(dimethylammonio)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1ccc(cc1)[NH+](C)C
STK588222
Synonyms: 2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-ol
Smiles: Cc1cc(C)c2c(n1)nn1c2nc(cc1O)C
STK850890
Synonyms: N-[(2E)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]pyridine-3-carboxamide
Smiles: O=C(c1cccnc1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N
STK588225
Synonyms: 1-ethyl-5-methoxy-2-methyl-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-3-carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)NCC1CCCO1)c(n2CC)C
STK588226
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1N)c1n[nH]c(c1)C
STK850891
Synonyms: N-(4-fluorobenzyl)-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1ccc(cc1)F
STK588234
Synonyms: 9-methoxy-6-undecyl-6H-indolo[2,3-b]quinoxaline
Smiles: CCCCCCCCCCCn1c2ccc(cc2c2c1nc1ccccc1n2)OC
STK588236
Synonyms: 5,6-dimethyl-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1C)O)CCc1ccccc1
STK588237
Synonyms: 5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2
STK588238
Synonyms: 2-{[(5E)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1n[nH]/c(=N\C(=O)C)/s1
STK850892
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
Smiles: CCCCC(=O)Nc1nonc1c1ccc(c(c1)OC)OC
STK588241
Synonyms: N-[(5-chloro-2-methylphenyl)carbamoyl]-D-valine
Smiles: CC([C@H](C(=O)O)NC(=O)Nc1cc(Cl)ccc1C)C
STK588245
Synonyms: (2Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-])OC
STK588246
Synonyms: 1-amino-2-(azepan-1-yl)-4-[(2-hydroxyethyl)amino]anthracene-9,10-dione
Smiles: OCCNc1cc(N2CCCCCC2)c(c2c1C(=O)c1ccccc1C2=O)N
STK588256
Synonyms: N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)Nc1cccc(c1)C(F)(F)F
STK588259
Synonyms: 5-(4-chlorophenyl)-2-methyl-7-(pyridin-4-yl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(c2ccncc2)n2c(=N1)[nH]c(n2)C
STK588261
Synonyms: 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2cccs2)/C1=O)NCCc1c[nH]c2c1cccc2
STK850895
Synonyms: 4-(2-fluorophenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1ccccc1O
STK850896
Synonyms: 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)c1[nH]n(c(=O)c1)c1nc2c(s1)cccc2
STK850897
Synonyms: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c([nH]n2)c1ccccc1O
STK588267
Synonyms: 2-[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1C)oc(=O)c1c2cccc1
STK588268
Synonyms: 4-hydroxy-6-methyl-2-phenyl-5-[4-(propan-2-yl)benzyl]-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1nc2[nH]n(c(=O)c2c(c1Cc1ccc(cc1)C(C)C)O)c1ccccc1
STK850898
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)acetamide
Smiles: COc1ccccc1OCC(=O)Nc1nonc1c1ccc(cc1)Cl
STK588269
Synonyms: 1-{N-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]glycylglycyl}-4-phenylpiperidine-4-carboxylicacid
Smiles: O=C(NCC(=O)N1CCC(CC1)(C(=O)O)c1ccccc1)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
STK588271
Synonyms: ethyl3-(4-hydroxy-6-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)propanoate
Smiles: CCOC(=O)CCc1c(C)nc2c(c1O)c(=O)n([nH]2)c1ccccc1
STK588273
Synonyms: N-(4-chloro-2,5-dimethoxyphenyl)-5-hydroxy-2-oxo-2,3,4,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1cc(Cl)c(cc1NC(=O)C1CC(=O)N=C2C1=C(O)CCC2)OC
STK850899
Synonyms: N-[(2E)-4-hydroxy-2H-1,3-benzothiazin-2-ylidene]-2-(pyrimidin-2-ylsulfanyl)acetamide
Smiles: O=C(/N=c/1\nc(O)c2c(s1)cccc2)CSc1ncccn1
STK588274
Synonyms: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)COc1ccc2c(c1)oc(=O)cc2
STK588278
Synonyms: methylN-[(2-fluorophenyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccccc1F
STK588281
Synonyms: 3-methoxy-7-methyl-14H-chromeno[2',3':4,5]pyrimido[1,6-a]benzimidazol-14-one
Smiles: COc1ccc2c(c1)oc1c(c2=O)c2nc3c(n2c(n1)C)cccc3
STK588283
Synonyms: 5-(2-hydroxyphenyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
STK588286
Synonyms: 7-chloro-6-methyl-1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK588287
Synonyms: N-[(2Z)-3-(3,4-dichlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1c1ccc(c(c1)Cl)Cl)CS(=O)(=O)C2
STK588288
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C
STK588290
Synonyms: 4-[2,4-dihydroxy-1-(2-methoxyethyl)-6-oxo-5,6-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl]benzoicacid
Smiles: COCCn1c(O)nc(c2c1=NC1=C(C2c2ccc(cc2)C(=O)O)C(=O)c2c1cccc2)O
STK588296
Synonyms: 4-[(3Z)-2,5-dioxo-3-(pyridin-3-ylmethylidene)pyrrolidin-1-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)C/C(=C/c2cccnc2)/C1=O
STK588297
Synonyms: 1-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK588300
Synonyms: N-[(4-fluorobenzyl)carbamoyl]-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCc1ccc(cc1)F
STK588304
Synonyms: 1-(4-tert-butylphenyl)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c(=O)c1c(o2)cc(c(c1)Cl)C
STK588305
Synonyms: 2-cyclohexyl-3-(2-methoxyethyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)C1CCCCC1
STK588322
Synonyms: 2-{4-(4-chlorophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Clc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nnc1c1ccccn1
STK588327
Synonyms: (5Z)-2-hydroxy-5-[3-methyl-4-(pyrrolidin-1-yl)benzylidene]-3,5-dihydro-4H-imidazol-4-one
Smiles: OC1=N/C(=C\c2ccc(c(c2)C)N2CCCC2)/C(=O)N1
STK588329
Synonyms: (4Z)-4-[(4-ethoxyphenyl)imino]-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CCOc1ccc(cc1)/N=c\1/[nH]c(CN2CCN(CC2)c2ccc(cc2)F)nc(n1)N
STK588330
Synonyms: 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylicacid
Smiles: OC(=O)C1(CN(C)c2c(C1)cc(cc2)[N+](=O)[O-])C(=O)O
STK588332
Synonyms: 9-methoxy-6-(4-methoxybenzyl)-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc(cc1)Cn1c2ccc(cc2c2c1nc1ccccc1n2)OC
STK588334
Synonyms: 1-benzyl-2-hydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-4,6(1H)-dione
Smiles: OC1=NC(=O)C2(C(=O)N1Cc1ccccc1)Cc1ccccc1N1C2CCC1
STK588336
Synonyms: 1-[10-(furan-2-yl)-2-(2-methoxyphenyl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccccc1c1nc2n(n1)cnc1c2C(c2ccco2)C(=C(O1)C)C(=O)C
STK588339
Synonyms: 8-(4-ethylpiperazin-1-yl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK850906
Synonyms: 3-benzyl-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(OC)c(cc1OC)OC)Cc1ccccc1
STK588353
Synonyms: 9-methoxy-6-[2-(3-methylphenoxy)ethyl]-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1cccc(c1)C
STK588355
Synonyms: N-(2,5-dimethoxybenzyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cc(OC)ccc1OC)CCN1CCOCC1
STK850907
Synonyms: 2-{(2Z)-4-hydroxy-2-[(2E)-(4-hydroxy-3-methoxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-phenylacetamide
Smiles: COc1cc(/C=N/N=C\2/N=C(C(S2)CC(=O)Nc2ccccc2)O)ccc1O
STK588362
Synonyms: N-[(2-methylcyclohexyl)carbamoyl]leucine
Smiles: CC(CC(C(=O)O)NC(=O)NC1CCCCC1C)C
STK588363
Synonyms: 1'-propyl-15,16-dihydro-2'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone
Smiles: CCCN1C(=O)NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2
STK588364
Synonyms: 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cc(c(c1)Cl)C
STK588368
Synonyms: 1-[1-(6-{[3-(dimethylamino)propyl]amino}-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl]ethanone
Smiles: CN(CCCNc1nc(nc(c1)n1ncc(c1C)C(=O)C)c1ccccc1)C
STK588373
Synonyms: (2E,5Z)-2-{[4-chloro-2-(trifluoromethyl)phenyl]imino}-5-(3-ethoxy-4-hydroxybenzylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: CCOc1cc(ccc1O)/C=C/1\S/C(=N/c2ccc(cc2C(F)(F)F)Cl)/N=C1O
STK588374
Synonyms: N-[3-(1,3-benzodioxol-5-ylmethyl)-2',6'-dihydroxy-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl]propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)CC1(C3N2CCN(C3)Cc2ccc3c(c2)OCO3)C(=NC(=NC1=O)O)O
STK588377
Synonyms: N-[3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl]-2-(thiophen-2-yl)acetamide
Smiles: COc1ccc(cc1)c1c(NC(=O)Cc2cccs2)oc2c(c1=O)cccc2
STK588385
Synonyms: 2-[(2,4-dichlorobenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(c(c1)Cl)CNc1nc2n(n1)c(O)c(c(n2)C)C
STK588387
Synonyms: 5-[(4-fluorophenyl)amino]-2,7-dihydroxythieno[3,2-b]pyridine-3-carbonitrile
Smiles: N#Cc1c(O)sc2c1nc(Nc1ccc(cc1)F)cc2O
STK588389
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-4-(4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK588392
Synonyms: 3-[(3a'S,6a'R)-5'-butyl-6,7-dimethyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1ccc(c2C)C
STK588393
Synonyms: 3-(1H-benzimidazol-2-yl)-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: C=CCn1c2nc3ccccc3nc2c(c1N)c1nc2c([nH]1)cccc2
STK850910
Synonyms: N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]methanesulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)C)Cc1ccco1
STK850911
Synonyms: 8-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1OC)OC
STK850912
Synonyms: 1-benzyl-4-oxo-N-(2-phenylethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)NCCc1ccccc1
STK588398
Synonyms: 2-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CC(CN(C(=O)c1ccccc1F)Cc1cc2ccccc2[nH]c1=O)C
STK850915
Synonyms: 2-[4-(4-chlorophenyl)-3-methyl-1,2-oxazol-5-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1onc(c1c1ccc(cc1)Cl)C
STK850916
Synonyms: 1-[3-amino-6-tert-butyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone
Smiles: CC(=O)c1sc2c(c1N)c(cc(n2)C(C)(C)C)C(F)(F)F
STK588410
Synonyms: 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ylN-[(benzyloxy)carbonyl]-L-isoleucinate
Smiles: CC[C@@H]([C@@H](C(=O)Oc1cc(C)cc2c1c1CCCCc1c(=O)o2)NC(=O)OCc1ccccc1)C
STK588412
Synonyms: 2-(2-benzyl-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanol
Smiles: OCCn1c(c2ccccc2)c(c2c1ncn1c2nc(n1)Cc1ccccc1)c1ccccc1
STK588419
Synonyms: 5-(dimethylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N(C)C)c1ccccc1[N+](=O)[O-]
STK588422
Synonyms: (1-ethyl-5-methoxy-2-methyl-1H-indol-3-yl)[4-(2-fluorophenyl)piperazin-1-yl]methanone
Smiles: COc1ccc2c(c1)c(C(=O)N1CCN(CC1)c1ccccc1F)c(n2CC)C
STK850918
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCCn2cncc2)CCC1
STK588426
Synonyms: 7-chloro-2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK850919
Synonyms: methyl2-methyl-4-(pyridin-4-yl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccncc1)c1ccccc1[nH]2
STK850920
Synonyms: 4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cn1cccc1/C=N/n1c(=S)[nH]nc1c1cccnc1
STK850921
Synonyms: 5,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1c(C)nc2n(c1NCCN1CCOCC1)ncc2c1ccccc1
STK588429
Synonyms: 5-[5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl]pentan-1-amine
Smiles: NCCCCCc1nnc(o1)SCc1ccccc1
STK588430
Synonyms: (8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(thiophen-2-yl)methanone
Smiles: COc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)c1cccs1
STK588437
Synonyms: 7-chloro-2-methyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1)C
STK850922
Synonyms: 6-chloro-N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]c2c(s1)cc(cc2)C
STK588440
Synonyms: 3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzonitrile
Smiles: N#Cc1cccc(c1)CN1CCc2c(C1C)cc(c(c2)OC)OC
STK588442
Synonyms: (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
Smiles: O=C([C@@H](n1c(O)nc2c(c1=O)cccc2)C)Nc1cccc(c1)C(F)(F)F
STK850924
Synonyms: 1-(3-methoxypropyl)-9-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCCN1CCCC1=O
STK588444
Synonyms: 2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)Cc1nn2c(n1)nc(cc2C)C
STK588448
Synonyms: 1-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)OC)c(=O)c1c(o2)c(C)cc(c1)C
STK588452
Synonyms: (3S)-N-(1-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)NC(c1ccccc1)C
STK588453
Synonyms: N'-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
Smiles: COc1ccc(cc1)c1c(oc2c1c(NCCN(C)C)ncn2)c1ccc(cc1)OC
STK850929
Synonyms: 3-phenyl-5-propyl-7-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCCC2)n2c(n1)c(cn2)c1ccccc1
STK588458
Synonyms: (3S,3'S,3a'R,6a'S)-5-chloro-3'-(2-methylpropyl)-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(C[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cc(Cl)cc1)C
STK850930
Synonyms: ethyl5-amino-1-(8,10-dimethyl-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate
Smiles: CCCc1nc2c3c(C)cc(nc3nn2c(c1)n1ncc(c1N)C(=O)OCC)C
STK850931
Synonyms: 7-[(2-fluorobenzyl)oxy]-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccccc1c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCc1ccccc1F
STK588459
Synonyms: 2-(3-hydroxypropyl)-1-[4-(methylsulfanyl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)SC)c(=O)c1c(o2)cccc1
STK588460
Synonyms: 6-chloro-7-methyl-N-{4-[methyl(phenyl)sulfamoyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C
STK588461
Synonyms: (2S)-2-(1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenyl-N-(1-phenylethyl)propanamide
Smiles: CC(c1ccccc1)NC(=O)[C@@H](n1c(=O)c2ccccc2n(c1=O)C)Cc1ccccc1
STK588463
Synonyms: 2,3-dihydro[1,4]dioxino[2,3-g]quinoxaline-7,8-diol
Smiles: Oc1nc2cc3OCCOc3cc2nc1O
STK588467
Synonyms: 5-tert-butyl-7-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc2c(c1CN1CCN(CC1)c1cc(nc3n1ncc3c1ccccc1)C(C)(C)C)cccc2
STK588468
Synonyms: 4-(4-bromophenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Brc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK588470
Synonyms: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCCO3)C(=O)C2C1C(N1C2CCC1)C(=O)c1ccccc1
STK588473
Synonyms: (5Z)-5-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-4-hydroxy-1,3-thiazole-2(5H)-thione
Smiles: Cl/C(=C\c1ccc(cc1)[N+](=O)[O-])/C=C/1\SC(=S)N=C1O
STK588475
Synonyms: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(cc(c1O)Br)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK588476
Synonyms: 4-(4-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK588479
Synonyms: 3,4-dihydroisoquinolin-2(1H)-yl(4,5,6,7-tetrahydro-2H-indazol-3-yl)methanone
Smiles: O=C(c1[nH]nc2c1CCCC2)N1CCc2c(C1)cccc2
STK588481
Synonyms: 8-methoxy[1,2,4]triazino[4,5-a]indol-1-ol
Smiles: COc1ccc2c(c1)cc1n2cnnc1O
STK588485
Synonyms: 2-methoxy-N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)benzamide
Smiles: COc1ccccc1C(=O)NN1CCc2c1nc1cc(C)ccc1c2
STK588489
Synonyms: 2-(biphenyl-4-yl)-5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazole
Smiles: Clc1cccc(c1Cl)c1[nH]c(nc1c1ccccc1)c1ccc(cc1)c1ccccc1
STK588500
Synonyms: 2-(2-methoxy-4-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1cc(ccc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccccc2)CCC1)[N+](=O)[O-]
STK850935
Synonyms: 1-(3-methoxypropyl)-4-oxo-N-(pyridin-3-yl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1cccnc1
STK850938
Synonyms: 3-benzyl-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(c(c1)C1CC(=O)N2C(=C1C#N)SCN(C2)Cc1ccccc1)OC
STK588502
Synonyms: 3-(2-hydroxyphenyl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N=C2C)cccc3)CC(C1)c1ccccc1O
STK588503
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-phenoxyphenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1cccc(c1)Oc1ccccc1
STK588506
Synonyms: 9-(3,5-difluorophenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1cc(F)cc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccco1
STK588510
Synonyms: N-[(2-methylphenyl)carbamoyl]-L-phenylalanine
Smiles: O=C(Nc1ccccc1C)N[C@H](C(=O)O)Cc1ccccc1
STK588514
Synonyms: 4-tert-butyl-N-(5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Nc1cc(=O)[nH]c2n1ncn2
STK928018
Synonyms: 3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Oc1cccc(c1)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK588520
Synonyms: 4-[({1-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-4-phenylpiperidin-4-yl}carbonyl)amino]butanoicacid
Smiles: OC(=O)CCCNC(=O)C1(CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)c1ccccc1
STK850940
Synonyms: 1-(3-methoxyphenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1
STK588525
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccc(cc1)Br
STK588533
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(4-ethoxyphenyl)prop-2-enenitrile
Smiles: CCOc1ccc(cc1)/C=C(/c1nc2c(o1)cccc2)\C#N
STK588536
Synonyms: 2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C
STK588538
Synonyms: 3-(1H-indol-3-yl)-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)CCc1c[nH]c2c1cccc2
STK588539
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK588541
Synonyms: 7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)Cl)c(=O)c1c(o2)cc(c(c1)Cl)C
STK588549
Synonyms: methylN-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)c1nc2c(s1)cccc2)C
STK588554
Synonyms: 2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(nc1=O)N1CCC2(CC1)OCCO2
STK588556
Synonyms: (5E)-5-(3,4-dihydroxybenzylidene)-3-(3-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O
STK588560
Synonyms: 8-ethoxy-2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CCOc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C
STK588561
Synonyms: (1Z)-1-(4-hydroxy-2-imino-1,3-thiazol-5(2H)-ylidene)-4,4,6,8-tetramethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: Cc1cc2C(C)CC(N3c2c(c1)/C(=C\1/SC(=N)N=C1O)/C3=O)(C)C
STK588562
Synonyms: 5-(2-hydroxyphenyl)-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: COCCCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2ccccc2O)sc2c1CCCC2
STK588563
Synonyms: 2-({[(5E)-5-(2-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=O)S/C(=C/c2ccccc2Cl)/C1=O
STK850945
Synonyms: 1-(3-methoxypropyl)-N-[2-(morpholin-4-yl)ethyl]-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCCN1CCOCC1
STK588566
Synonyms: 3-(2-bromophenoxy)-7-[(3-chlorobenzyl)oxy]-4H-chromen-4-one
Smiles: Clc1cccc(c1)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1Br
STK850946
Synonyms: ethyl2-(4-chlorophenyl)-7-hydroxy[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)c1cnc2n(c1O)nc(n2)c1ccc(cc1)Cl
STK588576
Synonyms: 3-hydroxy-N'-[(3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-1-yl)carbonyl]-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: O=C(C12CCC(C2(C)C)(C(C1)O)C)NNC(=O)C12CCC(C2(C)C)(C(C1)O)C
STK588577
Synonyms: methylN-[(4-sulfamoylphenyl)carbamoyl]-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)S(=O)(=O)N
STK588586
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)N1CCn2c1nc1c2cccc1)C
STK588590
Synonyms: methylN-[(4-phenylpiperazin-1-yl)carbonyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)N1CCN(CC1)c1ccccc1
STK588592
Synonyms: 6-benzyl-2-[(4-chlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)CSc1nn2c(n1)nc(c(c2O)Cc1ccccc1)C
STK588594
Synonyms: N-(2,5-dimethoxyphenyl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
Smiles: COc1ccc(c(c1)NC(=O)CC1NC(=O)c2c1cccc2)OC
STK588599
Synonyms: N-[5-hydroxy-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
Smiles: CCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1C
STK588600
Synonyms: 1-(4-{[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl]oxy}phenyl)ethanone
Smiles: Cc1nc(Oc2ccc(cc2)C(=O)C)cc(n1)n1ncc(c1C)C(=O)C
STK588605
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1[nH]c(n2)N1CCC(CC1)Cc1ccccc1)C
STK588606
Synonyms: N-[2-(3-fluorophenyl)ethyl]-3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)ccc(c2)O)NCCc1cccc(c1)F
STK588608
Synonyms: 1,6,7-trimethyl-8-(2-phenylethyl)-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1n(C)c2nc3n(c2c(=O)n1CCN1CCCCC1)c(c(n3CCc1ccccc1)C)C
STK588610
Synonyms: N-(3-chloro-2-methylphenyl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1cccc(c1C)Cl)O
STK588612
Synonyms: N-cyclohexyl-5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(ncn2)NC1CCCCC1)c1cccnc1
STK850953
Synonyms: 3-{methyl[(3-oxo-3H-benzo[f]chromen-1-yl)methyl]amino}propanenitrile
Smiles: N#CCCN(Cc1cc(=O)oc2c1c1ccccc1cc2)C
STK850954
Synonyms: 3,8-bis(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1OC)OC
STK850956
Synonyms: 4-(2-amino-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4-yl)benzene-1,2-diol
Smiles: NC1=NC(c2ccc(c(c2)O)O)n2c(=N1)[nH]c1c2cccc1
STK588619
Synonyms: N-(1,3-benzodioxol-5-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CCC2)Nc1ccc2c(c1)OCO2
STK588623
Synonyms: 1-[2-(2-chlorophenyl)-10-(4-methoxyphenyl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccc(cc1)C1C(=C(C)Oc2c1c1nc(nn1cn2)c1ccccc1Cl)C(=O)C
STK588624
Synonyms: 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-[4-(propan-2-yl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C(C)C)c(=O)c1c(o2)cc(c(c1)Cl)C
STK588625
Synonyms: 9,9-dimethyl-12-(4-methylphenyl)-2-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: Cc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)c1cccnc1)CC(CC2=O)(C)C
STK588626
Synonyms: 5-amino-4-(4-hydroxyquinazolin-2-yl)-1-phenyl-1,2-dihydro-3H-pyrrol-3-one
Smiles: O=C1CN(C(=C1c1nc(O)c2c(n1)cccc2)N)c1ccccc1
STK588628
Synonyms: 2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(nc1O)O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])O
STK850959
Synonyms: N-[(2Z)-6-fluoro-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Fc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)cccc3)/[nH]2
STK588631
Synonyms: 5-[3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1cccs1)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl
STK850960
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenyl-1-(tetrahydrofuran-2-ylmethyl)urea
Smiles: O=C(N(C1CCS(=O)(=O)C1)CC1CCCO1)Nc1ccccc1
STK588638
Synonyms: diethyl[(3-hydroxyquinoxalin-2-yl)(phenyl)methyl]phosphoramidate
Smiles: CCOP(=O)(NC(c1nc2ccccc2nc1O)c1ccccc1)OCC
STK588640
Synonyms: 7-methyl-N~5~-(2-phenylethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Smiles: CN1CCc2c(C1)c(NCCc1ccccc1)nc1c2c(N)n[nH]1
STK588641
Synonyms: 2-[(4Z)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxobutyl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc2/C(=C/C(=O)CCN3C(=O)c4c(C3=O)cccc4)/NCCc2cc1OC
STK588646
Synonyms: 8-bromo-4-(2-methylpiperidin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: Brc1ccc2c(c1)c1ncnc(c1o2)N1CCCCC1C
STK588648
Synonyms: (3Z)-3-[5-nitro-2-(pyrrolidin-1-yl)benzylidene]-1,3-dihydro-2H-indol-2-one
Smiles: O=C1Nc2c(/C/1=C/c1cc(ccc1N1CCCC1)[N+](=O)[O-])cccc2
STK588650
Synonyms: 2-methyl-3-phenyl-5-(propan-2-yl)-7-[4-(pyridin-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)c2ccccn2)n2c(n1)c(c1ccccc1)c(n2)C)C
STK588651
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK588658
Synonyms: 2-chloro-N-[5-hydroxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2Cl)n2c(n1)nc(n2)C(F)(F)F
STK588663
Synonyms: 5-benzyl-2-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nn2c(c1)nc(cc2O)Cc1ccccc1
STK588666
Synonyms: (1S)-2-(1H-indol-3-yl)-1-{5-[(3-methylbut-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: CC(=CCSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N)C
STK588667
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-[4-(2-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol
Smiles: COc1ccccc1c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1F
STK588668
Synonyms: 6-chloro-4-[(4-phenylpiperazin-1-yl)methyl]-2H-chromen-2-one
Smiles: Clc1ccc2c(c1)c(CN1CCN(CC1)c1ccccc1)cc(=O)o2
STK588670
Synonyms: (5-chloro-1H-indol-2-yl)(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)N1CCC2(CC1)OCCO2
STK588673
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)NCc1ccc2c(c1)OCO2)O
STK588675
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-3-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1
STK588678
Synonyms: N-[(3-butoxypropyl)carbamoyl]-L-leucine
Smiles: CCCCOCCCNC(=O)N[C@H](C(=O)O)CC(C)C
STK588686
Synonyms: 2-[(6-chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCc1ccncc1
STK588691
Synonyms: 1,6,7-trimethyl-3-[2-(morpholin-4-yl)ethyl]-8-(2-phenylethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1n(C)c2nc3n(c2c(=O)n1CCN1CCOCC1)c(c(n3CCc1ccccc1)C)C
STK588697
Synonyms: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Smiles: CC(N1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)Cc2ccccc2)C)/C1=O)C
STK850971
Synonyms: 1-(3-methoxypropyl)-9-methyl-2-(piperidin-1-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCCCC1
STK588706
Synonyms: 2-amino-5-(4-chlorophenyl)-6-hydroxy-8,8-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c(n2)N)(C)C
STK588707
Synonyms: 2-[2-amino-5-(2-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chlorobenzyl)oxy]phenol
Smiles: COc1ccccc1c1c(C)nc(nc1c1ccc(cc1O)OCc1ccccc1Cl)N
STK588709
Synonyms: N-benzyl-N-ethyl-5-fluoro-1H-indole-2-carboxamide
Smiles: CCN(C(=O)c1cc2c([nH]1)ccc(c2)F)Cc1ccccc1
STK850972
Synonyms: N'-[(1E)-1-(4-aminophenyl)ethylidene]-5-(propan-2-yl)-1H-pyrazole-3-carbohydrazide
Smiles: Nc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c(c1)C(C)C)/C
STK588712
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1ccc(cc1OC)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK850975
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)/N=c/1\sc2c([nH]1)cccc2
STK588715
Synonyms: N-(5-chloropyridin-2-yl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: Clc1ccc(nc1)NC(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C
STK588718
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccccc1F
STK588719
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenyl-N-propylpyrimidin-4-amine
Smiles: CCCNc1cc(nc(n1)n1nc(cc1C)C)c1ccccc1
STK588723
Synonyms: 2,6-dihydroxy-3-(4-methoxybenzyl)-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)Cn1c(O)nc(c(c1=O)C1OC(=O)c2c1cccc2)O
STK850979
Synonyms: 3-(4-chlorophenyl)-8-(2,3-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1OC)OC)c1ccc(cc1)Cl
STK588727
Synonyms: (5E)-5-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2cn(nc2c2cc3c(o2)cccc3)c2ccccc2)/C(=O)N(C1=O)C
STK588728
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)OCCC(C)C)c([nH]n2)c1cc(Cl)c(cc1O)C
STK588729
Synonyms: N-[(2E)-4-(4-chlorophenyl)-1,3-thiazol-2(3H)-ylidene]-2-{[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)c1cs/c(=N/C(=O)CSc2nnc(o2)c2noc(c2)C)/[nH]1
STK588731
Synonyms: 3-(4-chlorophenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: Clc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N=C2)C1)O
STK850982
Synonyms: 2,8,10-trimethyl-N-[3-(morpholin-4-yl)propyl]pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: Cc1cc(NCCCN2CCOCC2)n2c(n1)c1c(C)cc(nc1n2)C
STK850983
Synonyms: N-(4-methylphenyl)-6-(morpholin-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Smiles: Cc1ccc(cc1)Nc1nc(nc2c1cnn2c1ccccc1)N1CCOCC1
STK588733
Synonyms: (4-ethylpiperazin-1-yl)(5-methoxy-3-methyl-1H-indol-2-yl)methanone
Smiles: CCN1CCN(CC1)C(=O)c1[nH]c2c(c1C)cc(cc2)OC
STK588738
Synonyms: N-[(4-sulfamoylphenyl)carbamoyl]-L-valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)Nc1ccc(cc1)S(=O)(=O)N
STK850985
Synonyms: 1,7-dimethyl-N-[2-(morpholin-4-yl)ethyl]-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCCN1CCOCC1)C
STK588744
Synonyms: N-(1,3-benzodioxol-5-yl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)COc1ccc2c(c1)oc(=O)cc2
STK588748
Synonyms: 5-(2,3-dimethoxyphenyl)-7-hydroxy-1-methyl-2-thioxo-2,3,5,6-tetrahydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1c(OC)cccc1C1CC(=Nc2c1c(=O)[nH]c(=S)n2C)O
STK588749
Synonyms: methyl6-hydroxy-2-methyl-4-(naphthalen-1-ylcarbamoyl)-4,5-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)N=C(CC1C(=O)Nc1cccc2c1cccc2)O
STK588752
Synonyms: 1-(4-fluorophenyl)-4-(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)piperazine
Smiles: Fc1ccc(cc1)N1CCN(CC1)c1nc(nn1C)[N+](=O)[O-]
STK588755
Synonyms: 2,5-dihydroxy-1-(2-phenylethyl)-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione
Smiles: O=C1Nc2c(C1(O)C(F)(F)F)c(=O)nc(n2CCc1ccccc1)O
STK850987
Synonyms: 2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-5-yl)phenoxy]acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1[nH]ncc1c1ccccc1
STK588759
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cc1cccc(c1)OCC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)O
STK850988
Synonyms: (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)/C2=O
STK588760
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Oc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK588763
Synonyms: (1S,2S)-N'-[(E)-(2-hydroxy-7-methoxyquinolin-3-yl)methylidene]-2-phenylcyclopropanecarbohydrazide
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)O
STK588764
Synonyms: 2-[(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]-N-[3-(1H-imidazol-1-yl)propyl]propanamide
Smiles: CCc1cc(=O)oc2c1c(cc(c2)C)OC(C(=O)NCCCn1cncc1)C
STK850989
Synonyms: 9-butyl-8-(4-chlorophenyl)-2-hydroxy-1-methyl-1,9-dihydro-6H-purin-6-one
Smiles: CCCCn1c(nc2c1nc(O)n(c2=O)C)c1ccc(cc1)Cl
STK588772
Synonyms: (5E)-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NCCc1c[nH]c2c1cccc2
STK588773
Synonyms: 6,8-dibromo-N-dodecyl-2,4-dihydroxyquinoline-3-carboxamide
Smiles: CCCCCCCCCCCCNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br
STK850991
Synonyms: N-[(2E)-5-(ethylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-5-(2-fluorophenyl)furan-2-carboxamide
Smiles: CCSc1n[nH]/c(=N\C(=O)c2ccc(o2)c2ccccc2F)/s1
STK588778
Synonyms: N-[1-methyl-4-oxo-3-(pyridin-2-yl)-1,4-dihydroquinolin-2-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1n(C)c2ccccc2c(=O)c1c1ccccn1
STK588779
Synonyms: 2-(4-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)cc(n2)c1ccc(cc1)OC
STK588780
Synonyms: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-phenylalanyl-beta-alanine
Smiles: OC(=O)CCNC(=O)[C@@H](NC(=O)c1cc2c(n1C)ccc(c2)Cl)Cc1ccccc1
STK850992
Synonyms: ethyl6-bromo-5-[(1-methoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(C(=O)OC)C)c(c2)Br
STK588784
Synonyms: 2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: CCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCc1cccnc1
STK588785
Synonyms: 9-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccco1
STK588790
Synonyms: N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)-2-phenoxyacetamide
Smiles: O=C(NN1CCc2c1nc1cc(C)ccc1c2)COc1ccccc1
STK850994
Synonyms: 4-hydroxy-1,3,7-trimethyl-N-(2-methylphenyl)-2-oxo-5-phenyl-1,2,3,5-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
Smiles: O=C(C1=C(C)N=c2c(C1c1ccccc1)c(O)n(c(=O)n2C)C)Nc1ccccc1C
STK850995
Synonyms: 3-(3-methoxyphenoxy)-4-oxo-4H-chromen-7-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1cccc(c1)OC)CC
STK588800
Synonyms: 7-chloro-N~5~,N~5~-dimethyl-2,1,3-benzoxadiazole-4,5-diamine
Smiles: CN(c1cc(Cl)c2c(c1N)non2)C
STK588801
Synonyms: 2-{[(2Z)-2-(4-chlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoicacid
Smiles: OC(=O)C(Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)Cl)/C2=O)C
STK588803
Synonyms: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NCC1CCCO1
STK588805
Synonyms: 12-(2-methoxyphenyl)-9,9-dimethyl-2-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccccc1C1C2=C(Oc3c1c1nc(nn1cn3)c1cccnc1)CC(CC2=O)(C)C
STK588807
Synonyms: 4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-phenylethyl)piperazine-2,6-dione
Smiles: O=C1CN(CC(=O)N1CCc1ccccc1)c1cc(C)nc2n1ncn2
STK588812
Synonyms: tert-butyl{3-oxo-3-[(2E)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]propyl}carbamate(non-preferredname)
Smiles: O=C(N/N=C/c1cccc2c1nccn2)CCNC(=O)OC(C)(C)C
STK588813
Synonyms: 6-cyclohexyl-1-(furan-2-ylmethyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCCC1)Cc1ccco1
STK588814
Synonyms: 6-ethyl-2,5-dimethyl-7-(4-methylpiperazin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CCc1c(C)nc2n(c1N1CCN(CC1)C)nc(c2c1ccccc1)C
STK588815
Synonyms: N-(2-benzyl-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitrobenzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])n2c(n1)nc(n2)Cc1ccccc1
STK588816
Synonyms: 3-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
Smiles: O=C(CCN1C(=O)S/C(=C/c2ccccc2)/C1=O)NCCc1c[nH]c2c1cccc2
STK588817
Synonyms: 6-hydroxy-1,3,8,8-tetramethyl-5-[2-(prop-2-en-1-yloxy)phenyl]-5,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Smiles: C=CCOc1ccccc1C1C2=C(O)CC(CC2=Nc2c1c(=O)n(C)c(=O)n2C)(C)C
STK588833
Synonyms: 2-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino]ethanol
Smiles: OCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C
STK850999
Synonyms: N-butyl-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCNC(=O)c1cc2c(n1CCCOC)nc1n(c2=O)cccc1C
STK588834
Synonyms: N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Smiles: Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)NC1CCN(CC1)Cc1ccccc1
STK588843
Synonyms: 1-(furan-2-ylmethyl)-2-hydroxy-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2Cc1ccco1)O)C
STK588847
Synonyms: 5-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)NCCCN1CCCC1=O
STK588848
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)CCn1nnc2c(c1=O)cccc2)C
STK851002
Synonyms: (2Z)-2-(2-chloro-6-fluorobenzylidene)-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1c(F)cccc1Cl)/C2=O)C
STK588851
Synonyms: 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2ccco2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK588853
Synonyms: 3-{[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]amino}-2-hydroxy-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOc1cc(ccc1O)/C=N/n1c(O)nc2c(c1=O)[nH]c1c2ccc(c1)OC
STK588857
Synonyms: N-(3,5-dichlorophenyl)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1cc(Cl)cc(c1)Cl
STK588858
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-[3-(propan-2-yloxy)propyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1O)C1N(CCCOC(C)C)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK588861
Synonyms: (3aR,6aS)-3-(2,3-dimethoxyphenyl)-5-(2-fluorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1c(OC)cccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1F
STK588863
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-(1-phenylethyl)propanamide
Smiles: O=C(NC(c1ccccc1)C)CCn1c(C)nc2c1cccc2
STK588865
Synonyms: methyl2-{[(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C
STK588867
Synonyms: (3E)-3-hydrazinylidene-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1,3-dihydro-2H-indol-2-one
Smiles: N/N=C/1\c2ccccc2N(C1=O)C1OC(=O)c2c1cccc2
STK588868
Synonyms: 7-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2cnn1c1cc(Cl)ccc1C
STK588869
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1c(C)n(n(c1=O)c1ccccc1)C
STK588870
Synonyms: 4-[(dipropylamino)methyl]-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: CCCN(Cc1cc(=O)oc2c1cc1CCCc1c2)CCC
STK588872
Synonyms: 2,2'-{[(1-benzyl-1H-benzimidazol-2-yl)methyl]imino}diethanol
Smiles: OCCN(Cc1nc2c(n1Cc1ccccc1)cccc2)CCO
STK588878
Synonyms: 5-(2-hydroxyphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
STK588879
Synonyms: [(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(cc1)F
STK851009
Synonyms: 3-(4-chlorophenyl)-6-oxo-8-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1)c1ccc(cc1)Cl
STK851011
Synonyms: ethyl{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(c(c1)OC)OC)C
STK851012
Synonyms: 2-[(2-chloro-6-fluorobenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: Fc1cccc(c1CNc1[nH]c2n(n1)c(=O)c1c(n2)CCC1)Cl
STK851013
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-7-(1H-imidazol-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2n1cncc1)C(C)(C)C
STK588883
Synonyms: 2-(2-amino-6-methyl-5-phenylpyrimidin-4-yl)-5-[(2,4-dichlorobenzyl)oxy]phenol
Smiles: Clc1ccc(c(c1)Cl)COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccccc1)C
STK588885
Synonyms: 2-butoxy-N-(4-phenyl-1,2,5-oxadiazol-3-yl)benzamide
Smiles: CCCCOc1ccccc1C(=O)Nc1nonc1c1ccccc1
STK851014
Synonyms: 4-(3-methylphenyl)-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: Cc1cccc(c1)C1N=C(N)N=c2n1c1ccccc1[nH]2
STK588891
Synonyms: 7-cyclohexyl-1,3-dihydroxy-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: N#Cc1c(O)nc(c2c1CCN(C2)C1CCCCC1)O
STK588894
Synonyms: 2-(2-methoxyphenyl)-9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1OC
STK588895
Synonyms: 5-(5-ethyl-2-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: CCc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1nnc(s1)C)O
STK588897
Synonyms: 3-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-[4-(propan-2-yl)phenyl]propanamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CCn1c(O)nc2c(c1=O)cccc2
STK851015
Synonyms: 2-methyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
Smiles: O=C(C(C)C)Nc1nonc1c1ccc(cc1)C
STK851016
Synonyms: (5Z)-5-(3,4-dimethoxybenzylidene)-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1OC)/C=C/1\SC(=N)N(C1=O)c1nccs1
STK588905
Synonyms: methylN-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
STK588910
Synonyms: 2-carboxy-5-{[(1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]ammonio}phenolate
Smiles: Fc1ccc(cc1)C(=O)/C=C/[NH2+]c1ccc(c(c1)[O-])C(=O)O
STK851019
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
STK851020
Synonyms: (2Z)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-ylmorpholine-4-carboxylate
Smiles: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C)OC(=O)N1CCOCC1
STK851021
Synonyms: 7-[(3-chlorobenzyl)oxy]-3-(2-methoxyphenoxy)-4H-chromen-4-one
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1cccc(c1)Cl
STK588925
Synonyms: 6-hydroxy-8-[(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCNc1nc2c(n1CCc1ccc(cc1)OC)c(O)nc(=O)n2C
STK588926
Synonyms: 8-hydrazinyl-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: NNc1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C
STK588928
Synonyms: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(3-methoxypropyl)acetamide
Smiles: COCCCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2OC)OC
STK588930
Synonyms: 2-(4-tert-butylphenyl)-8,9-dimethylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1oc2c(c1C)c1nc(nn1cn2)c1ccc(cc1)C(C)(C)C
STK588933
Synonyms: (3aR,6aS)-3-(2,3-dimethoxyphenyl)-5-(2,3-dimethylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1c(OC)cccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1C)C
STK588936
Synonyms: (8aR)-7-cyclooctyltetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Smiles: O=C1N(CC(=O)N2[C@H]1CSC2)C1CCCCCCC1
STK588938
Synonyms: 3-tert-butyl-6-hydroxy-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)C(C)(C)C)O
STK588939
Synonyms: 6-hydroxy-1,3-dimethyl-5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetyl]pyrimidine-2,4(1H,3H)-dione
Smiles: O=C1OC(c2c1cccc2)CC(=O)c1c(O)n(C)c(=O)n(c1=O)C
STK588940
Synonyms: 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: CC1CCN(CC1)C(=O)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2
STK588944
Synonyms: 11-methyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1c(OC)cc(cc1OC)C1CC(=C2C(=Nc3ccccc3N=C2C)C1)O
STK588946
Synonyms: N'-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1c(C)c(C)nc2n1ncc2c1ccccc1)C
STK851023
Synonyms: N-(4-methoxyphenyl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: COc1ccc(cc1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK851024
Synonyms: N-(2-chlorobenzyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccccc1Cl
STL036546
Synonyms: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methyl-N-[(2Z)-4-phenyl-1,3-thiazol-2(3H)-ylidene]pentanamide
Smiles: CC(CC(N1C(=O)c2c(C1=O)cccc2)C(=O)/N=c/1\scc([nH]1)c1ccccc1)C
STK851026
Synonyms: 3-(2-methoxyethyl)-1,6,7-trimethyl-8-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccccc1
STK588951
Synonyms: [4-(difluoromethoxy)-3-ethoxyphenyl](6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: CCOc1cc(ccc1OC(F)F)C(=O)N1CCc2c(C1C)cc(c(c2)OC)OC
STK588954
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(pyridin-3-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(cc(c1OC)OC)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK588959
Synonyms: 2-{[(2E)-4-hydroxy-1,3-thiazol-2(5H)-ylidene]amino}-2-oxoethylmorpholine-4-carbodithioate
Smiles: O=C(/N=C\1/SCC(=N1)O)CSC(=S)N1CCOCC1
STK588961
Synonyms: 5-(furan-2-yl)-3-(furan-2-ylmethyl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c(=N)n(cn1)Cc1ccco1
STK588965
Synonyms: 4-(3-chloro-4-fluorophenyl)-5-(pyrazin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1Cl)n1c(=S)[nH]nc1c1cnccn1
STK851028
Synonyms: 8-(2,3-dimethoxyphenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1OC)OC)c1ccccc1
STK588968
Synonyms: ethyl4-{[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC
STK588972
Synonyms: 1-(2-{[3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]amino}butanoyl)piperidine-4-carboxylicacid
Smiles: CCC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OC
STK588973
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1[nH]c(n2)CN1CCN(CC1)Cc1ccccc1)C
STK588977
Synonyms: 6-chloro-5-methyl-2-[(naphthalen-1-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Cc1nc2[nH]c(nn2c(=O)c1Cl)NCc1cccc2c1cccc2
STK588978
Synonyms: N-[3-(2-chlorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]acetamide
Smiles: CC(=O)Nc1c(c2ccccc2Cl)c(=O)c2c(n1C)cccc2
STK851031
Synonyms: 7-(morpholin-4-yl)-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCOCC2)n2c(n1)c(cn2)c1ccccc1)C
STK588984
Synonyms: 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-[(2Z)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CSc1nc(sn1)SCC(=O)/N=c/1\scn[nH]1
STK588985
Synonyms: 5-tert-butyl-N-(3-chloro-4-methylphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2Nc1ccc(c(c1)Cl)C)C(C)(C)C
STK588986
Synonyms: N-[2-(dimethylamino)ethyl]-2-oxo-2H-chromene-3-carboxamide
Smiles: CN(CCNC(=O)c1cc2ccccc2oc1=O)C
STK588990
Synonyms: 1-benzyl-N-(2-methoxyethyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C
STK588993
Synonyms: 3-amino-1-(3-chlorophenyl)-1H-[1,3,5]triazino[1,2-a]quinazolin-6-ol
Smiles: Clc1cccc(c1)C1N=C(N)N=c2n1c1ccccc1c(n2)O
STK588994
Synonyms: 2-ethyl-7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1)CC
STK588995
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1cc([nH]n1)c1cc(Cl)ccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
STK589001
Synonyms: 4-oxo-4-{[(3Z)-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}butanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1ccccc1c2
STK589003
Synonyms: 2-(2-chlorophenyl)-4-[(4-fluorophenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1Cl
STK589004
Synonyms: 1,9-dimethyl-N-(naphthalen-1-yl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1C)nc1n(c2=O)cccc1C)Nc1cccc2c1cccc2
STK589006
Synonyms: 4-hydroxy-N,3,6,6-tetramethyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: CN1CCC(CC1)N(C(=O)c1oc2c(c1C)C(O)CC(C2)(C)C)C
STK589008
Synonyms: methyl3-{[(3,4-dimethoxyphenyl)carbonyl]amino}-2-hydroxy-5-methyl-3-(trifluoromethyl)-3H-pyrrole-4-carboxylate
Smiles: COC(=O)C1=C(C)N=C(C1(NC(=O)c1ccc(c(c1)OC)OC)C(F)(F)F)O
STK851039
Synonyms: 4-fluoro-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
Smiles: Fc1ccc(cc1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1
STK589014
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(NCCCn1cncc1)ncn2)c1cccnc1
STK589015
Synonyms: N-[(3-chloro-4-methylphenyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1ccc(c(c1)Cl)C)C
STK589016
Synonyms: 2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
Smiles: O=C(c1cccnc1c1nc2c(s1)cccc2)NC1CC(C)(C)NC(C1)(C)C
STK851040
Synonyms: N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CC1SC(=O)NC1=O
STK589017
Synonyms: (E)-1-(4-methylphenyl)-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethoxy)methanimine
Smiles: Cc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCCC2
STK589022
Synonyms: 2-chloro-N-(2-{6-[(1E)-3-(2,4-dihydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-N-methylbenzamide
Smiles: COc1c(/C=C/C(=O)c2c(O)nc(n(c2=O)C)O)c(CCN(C(=O)c2ccccc2Cl)C)cc2c1OCO2
STK589023
Synonyms: 4-(4-phenyl-1,2-oxazol-5-yl)benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)c1oncc1c1ccccc1
STK589025
Synonyms: N-(3,4-dimethylphenyl)-5-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)C)C
STK589026
Synonyms: 10-methyl-5-(propan-2-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1ncn2)SC(C)C
STK589029
Synonyms: N-[(2,4-dimethoxyphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1OC)OC
STK589030
Synonyms: 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccco1)c1cc(=O)c2c(o1)cc(c(c2)Cl)C
STK589031
Synonyms: 4,5,6-trimethoxy-N-(1-phenylethyl)-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)NC(c1ccccc1)C
STK589033
Synonyms: 2-[8,9-diphenyl-2-(pyridin-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanol
Smiles: OCCn1c2ncn3c(c2c(c1c1ccccc1)c1ccccc1)nc(n3)c1ccccn1
STK851044
Synonyms: 1,3-dimethyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n1CCSc1n2
STK589036
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-2-methyl-N-phenylpropanamide
Smiles: Oc1cc(CN(C(=O)C(C)C)c2ccccc2)c2c(n1)cccc2
STK589038
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Smiles: Cc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1C)C
STK589042
Synonyms: tert-butyl(3S)-3-({(2S)-3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: CC([C@@H](C(=O)NCC1CCCO1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
STK589043
Synonyms: N-[(2Z)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]-2-(4-phenylpiperazin-1-yl)acetamide
Smiles: CC1CCc2c(C1)s/c(=N\C(=O)CN1CCN(CC1)c1ccccc1)/[nH]2
STK851045
Synonyms: 4-(methoxycarbonyl)phenyl4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
Smiles: COC(=O)c1ccc(cc1)OC(=O)C12CCC(C2(C)C)(C(=O)C1)C
STK589047
Synonyms: ethyl10-(4-methoxyphenyl)-8-methyl-2-(pyridin-4-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccc(cc1)OC)c1nc(nn1cn2)c1ccncc1
STK589053
Synonyms: 3-(1H-benzimidazol-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CCn1cnc2c1cccc2
STK589057
Synonyms: N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pentanamide
Smiles: CCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1
STK589058
Synonyms: 4-[3-(trifluoromethyl)phenoxy][1,2,4]triazolo[4,3-a]quinoxaline
Smiles: FC(c1cccc(c1)Oc1nc2ccccc2n2c1nnc2)(F)F
STK589063
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-[3-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)OCCC(C)C)c([nH]n2)c1cc(C)cc(c1O)C
STK589064
Synonyms: (5Z)-5-(2H-chromen-3-ylmethylidene)-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/C2=Cc3c(OC2)cccc3)/C(=O)N(C1=O)C
STK589065
Synonyms: 4-[(4-benzylpiperazin-1-yl)methyl]-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccccc2)c2c(o1)cc1c(c2)CCC1
STK589067
Synonyms: (4Z)-4-[2-(4-methoxyphenyl)-4H-chromen-4-ylidene]-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1)C1=C/C(=C\2/N=C(OC2=O)c2cccs2)/c2c(O1)cccc2
STK589069
Synonyms: (4E)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Smiles: Cc1onc(c1)N1C(c2cccnc2)/C(=C(/c2ccccc2)\O)/C(=O)C1=O
STK589070
Synonyms: 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1onc(c1c1ccc(cc1)Cl)C(F)(F)F
STK589071
Synonyms: 5-methyl-3-[3-(morpholin-4-yl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cn1c2ccccc2c2c1c(=O)n(CCCN1CCOCC1)cn2
STK851048
Synonyms: 2-(5-bromo-2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-phenyl-1H-imidazole
Smiles: COc1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1cc(Br)c(cc1OC)OC
STK851050
Synonyms: 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(pyridin-2-ylmethyl)acetamide
Smiles: COc1ccc2c(c1CC(=O)NCc1ccccn1)ccc(c2)Br
STK589075
Synonyms: 5-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
Smiles: CN(C(c1ccco1)CNC(=O)c1oc2c(c1C)cc(cc2)Cl)C
STK589076
Synonyms: 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoicacid
Smiles: Cc1sc2c(c1)c(ncn2)Nc1cccc(c1)C(=O)O
STK589078
Synonyms: 2-[(5Z)-5-(2-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2Cl)/C1=O)NCCc1c[nH]c2c1cccc2
STK589084
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxybenzamide
Smiles: CCOc1cccc(c1)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK589086
Synonyms: N-{7-[2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}phenylalanine
Smiles: Cc1ccc(cc1)OCC(Cn1c(NC(C(=O)O)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)O
STK589090
Synonyms: 2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]propanoicacid
Smiles: OC(=O)C(Sc1nc(O)cc(n1)c1ccccc1)C
STK589091
Synonyms: 9-tert-butyl-N-(pyridin-3-ylmethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C)NCc1cccnc1
STK589092
Synonyms: 1-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-methylpentanoyl]piperidine-4-carboxylicacid
Smiles: CC(C[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)C(=O)N1CCC(CC1)C(=O)O)C
STK589094
Synonyms: 2-[(8-propyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)amino]butan-1-ol
Smiles: CCCN1CCc2c(C1)sc1c2c(NC(CO)CC)nc2n1nnn2
STK851052
Synonyms: 7,8-dimethyl-4-(morpholin-4-ylmethyl)-2H-chromen-2-one
Smiles: O=c1cc(CN2CCOCC2)c2c(o1)c(C)c(cc2)C
STK589099
Synonyms: N'-(acridin-9-yl)-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1c2ccccc2nc2c1cccc2)C
STK589102
Synonyms: 7-(4-benzylpiperazin-1-yl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)Cc2ccccc2)n2c(n1)c(cn2)c1ccccc1
STK851054
Synonyms: 2-methylpropyl(2E)-4-methyl-2-{[(4-oxo-4H-chromen-2-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CC(COC(=O)c1s/c(=N/C(=O)c2cc(=O)c3c(o2)cccc3)/[nH]c1C)C
STK589107
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(biphenyl-2-yl)acetamide
Smiles: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1N)c1[nH]nc2c1CCC2
STK851055
Synonyms: 2-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-6-methyl-4H-chromen-4-one
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)N1CCN(CC1)c1cccc(c1)Cl
STK589110
Synonyms: 2-[(6-chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCCCn1cncc1
STK589111
Synonyms: 5-chloro-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)NCc1cccnc1
STK589113
Synonyms: 4-(4-hydroxyphenyl)-8-methyl-2-[(4-methylphenyl)amino]-4,9-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: Cc1ccc(cc1)NC1=NC(n2c(=N1)[nH]c(C)cc2=O)c1ccc(cc1)O
STK589115
Synonyms: 4-({[trans-4-({[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}amino)butanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)NC[C@@H]1CC[C@H](CC1)C(=O)NCCCC(=O)O
STK589117
Synonyms: (5Z)-6-hydroxy-3-(2-phenylethyl)-5-(5-phenylpyrazolidin-3-ylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/1\NNC(C1)c1ccccc1)CCc1ccccc1
STK851056
Synonyms: 3-(4-fluorophenyl)-8-(3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1cccc(c1)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccc(cc1)F
STK589123
Synonyms: 3-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindol-1-one
Smiles: O=C(N1CCN(CC1)c1cccc(c1C)C)CC1NC(=O)c2c1cccc2
STK589127
Synonyms: 7-(2-ethoxyethyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCn1c(CN2CCN(CC2)C)nc2c1c(=O)n(c(=O)n2C)C
STK851059
Synonyms: 1-benzyl-2-(pyrrolidin-1-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)N1CCCC1
STK851061
Synonyms: N-cyclopentyl-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NC1CCCC1
STK589129
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: COCCCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)ccc2O)sc2c1CCCC2
STK589130
Synonyms: N-[2-(4-tert-butylphenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C(C)(C)C
STK851063
Synonyms: 4-(4-fluorophenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1ccccc1O
STK851064
Synonyms: 4-[(3-acetylphenyl)amino]-1-methyl-3-nitroquinolin-2(1H)-one
Smiles: [O-][N+](=O)c1c(Nc2cccc(c2)C(=O)C)c2ccccc2n(c1=O)C
STK851065
Synonyms: 3-amino-1-(3-bromophenyl)-1H-[1,3,5]triazino[1,2-a]quinazolin-6-ol
Smiles: Brc1cccc(c1)C1N=C(N)N=c2n1c1ccccc1c(n2)O
STK589138
Synonyms: 2-{(E)-[1-(2-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-N-phenylhydrazinecarbothioamide
Smiles: S=C(Nc1ccccc1)NN/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1Cl)O
STK851068
Synonyms: 3-(2-methoxyphenyl)-N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cccc(c1)Nc1cc(C)nc2n1ncc2c1ccccc1OC
STK589142
Synonyms: (1Z)-1-{[(3,4-dimethylphenyl)sulfonyl]methylidene}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN/C(=C\S(=O)(=O)c3ccc(c(c3)C)C)/c2cc1OC
STK589145
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-chloro-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
STK589146
Synonyms: (10aS)-2-[(4-methylphenyl)sulfonyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: Cc1ccc(cc1)S(=O)(=O)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK851072
Synonyms: methyl4-({5-[4-(2-hydrazinyl-2-oxoethoxy)-2-hydroxyphenyl]-3-methyl-1H-pyrazol-4-yl}oxy)benzoate
Smiles: NNC(=O)COc1ccc(c(c1)O)c1[nH]nc(c1Oc1ccc(cc1)C(=O)OC)C
STK589153
Synonyms: 5-(2-hydroxy-4,5-dimethylphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1cccnc1
STK589157
Synonyms: N,N-dimethyl-N'-[2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: CN(CCNc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C)C
STK851073
Synonyms: N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)C)c1ccc(cc1)C
STK589160
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-{3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2
STK851075
Synonyms: methyl3-(2-hydroxyethyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylate
Smiles: OCCn1c(S)nc2c(c1=O)ccc(c2)C(=O)OC
STK589171
Synonyms: (3aR,6aS)-3-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1Cl)Cl
STK851078
Synonyms: (2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)/C2=O
STK589179
Synonyms: 3-[(3-methoxypropyl)amino]-7-methyl-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: COCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C2)C
STK589183
Synonyms: 4-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CN1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C
STK589184
Synonyms: 8,10-dimethyl-4-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)CC(=C)C)n2c(n1)c1c(C)cc(nc1n2)C
STK851080
Synonyms: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl](4-methylpiperazin-1-yl)methanone
Smiles: CN1CCN(CC1)C(=O)c1cccnc1c1nc2c(s1)cccc2
STK851081
Synonyms: N-{4-[(6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}acetamide
Smiles: CCc1c(C)nc2n(c1Nc1ccc(cc1)NC(=O)C)nc(c2c1ccccc1)C
STK589193
Synonyms: 2,2,2-trifluoro-N-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzyl]acetamide
Smiles: O=C(C(F)(F)F)NCc1cc(ccc1C)c1nnc2n1nc(C)c1c2cccc1
STK589197
Synonyms: N-(4-{[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl](4-methoxyphenyl)sulfamoyl}phenyl)acetamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)NC(=O)C)Cc1cc2cc(OC)ccc2[nH]c1=O
STK589201
Synonyms: tert-butyl(3S)-3-{[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)Nc1ccc2c(c1)OCCO2
STK851083
Synonyms: {[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetonitrile
Smiles: N#CCOc1ccc2c(c1)oc(c(c2=O)c1ccc(c(c1)OC)OC)C
STK589206
Synonyms: 9-(3,4-dimethoxyphenyl)-2,6,6-trimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)(C)C
STK589208
Synonyms: N-(3,5-dichlorophenyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(Nc2cc(Cl)cc(c2)Cl)n2c(n1)c(c1ccccc1)c(n2)C
STK851085
Synonyms: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Clc1cccc(c1)N1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C
STK589214
Synonyms: 3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione
Smiles: S=C1S/C(=C\c2ccccc2)/C(=O)N1C1CC(=O)N(C1=O)c1ccccc1
STK589222
Synonyms: N-[(2E)-3-(2-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccccc1Cl)CS(=O)(=O)C2)CCCc1ccccc1
STK589227
Synonyms: N-[(3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-4-yl)carbonyl]-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)c1cccc2c1C(=O)N(C2)c1ccccc1)C
STK589231
Synonyms: N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)-2-oxo-2H-chromene-3-carboxamide
Smiles: Cc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1cc2ccccc2oc1=O
STK589232
Synonyms: 4-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/C1=Cc2c(OC1)cccc2
STK589234
Synonyms: 2-(4-methoxyphenyl)-4-[(4-methylphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(cc2)C)CCC1
STK589237
Synonyms: 8-cyclohexyl-2,5-dimethyl-3-phenyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc(c1c2N(CC1)C1CCCCC1)C
STK851087
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2O
STK851088
Synonyms: 6-methyl-4-(morpholin-4-ylmethyl)-2H-chromen-2-one
Smiles: Cc1ccc2c(c1)c(CN1CCOCC1)cc(=O)o2
STK851089
Synonyms: 5-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2NCc1ccccn1
STK589251
Synonyms: 2-(4-methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)c1ccc(cc1)OC
STK589256
Synonyms: (3S)-N-{(2S)-1-[(4-methoxybenzyl)amino]-3-methyl-1-oxobutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2
STK589263
Synonyms: 7-chloro-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3Cl)C
STK589267
Synonyms: 8-benzyl-2,5-dimethyl-3-phenyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine
Smiles: Cc1nc2n(c3c1CCN3Cc1ccccc1)nc(c2c1ccccc1)C