FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK851597
Synonyms: N-[1-cyclohexyl-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)NC1(N=C(N(C1=O)C1CCCCC1)O)C(F)(F)F

STK591721
Synonyms: N-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methylbenzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1C

STK591722
Synonyms: 3-(3-ethoxypropyl)-8-fluoro-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOCCCn1cnc2c(c1=O)n(C)c1c2cc(cc1)F

STK591727
Synonyms: N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)acetamide
Smiles: CC(=O)NN1CCc2c1nc1cc(C)ccc1c2

STK851598
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2NCC1CCCO1

STK591728
Synonyms: 2-hydroxy-4-{(E)-[2-(4-hydroxyphenyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate
Smiles: Oc1ccc(cc1)c1sc2=NC(=O)/C(=C/c3ccc(c(c3)O)[O-])/C(=[NH2+])n2n1

STK591732
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O

STK591735
Synonyms: 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C)C

STK851601
Synonyms: 5-ethoxy-2-[5-(4-methoxyphenoxy)pyrimidin-4-yl]phenol
Smiles: CCOc1ccc(c(c1)O)c1ncncc1Oc1ccc(cc1)OC

STK591736
Synonyms: 3-amino-N-(4-fluorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)ccc(n2)c1ccco1

STK591737
Synonyms: 7-(4-benzylpiperidin-1-yl)-5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCC(CC2)Cc2ccccc2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK591738
Synonyms: 1-(3-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591740
Synonyms: N-[(2-methylcyclohexyl)carbamoyl]-L-valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)NC1CCCCC1C

STK591742
Synonyms: (2E)-3-(11-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: OC(=O)/C=C/c1nn2c(n1)c1c(nc2)sc2c1C(C)CCC2

STK851603
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
Smiles: CCCCC(=O)Nc1nonc1c1ccc(cc1)Cl

STK591744
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK591747
Synonyms: 3-(7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)naphthalen-2-ol
Smiles: Oc1cc2ccccc2cc1c1nnc2n1cnc1c2cnn1C

STK591749
Synonyms: 8-(5-chloro-2-methoxyphenyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1ccc(cc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C)Cl

STK591752
Synonyms: naphthalen-2-yl(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)methanone
Smiles: O=C(c1ccc2c(c1)cccc2)N1CCC2(CC1)NCCc1c2[nH]cn1

STK591753
Synonyms: (6-methyl-2-thioxo[1,3]thiazolo[3,2-b][1,2,4]triazol-1(2H)-yl)(phenyl)methanone
Smiles: S=c1nc2n(n1C(=O)c1ccccc1)c(cs2)C

STK591755
Synonyms: 4-methoxy-N-[3-(morpholin-4-yl)propyl]-N-(naphthalen-1-ylmethyl)benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cccc2c1cccc2)CCCN1CCOCC1

STK591756
Synonyms: 1-amino-N,N-diethyl-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)CC

STK851605
Synonyms: 3-[(2E)-2-(4-chloro-3-nitrobenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5-ol
Smiles: [O-][N+](=O)c1cc(/C=N/Nc2nnc(c(n2)O)C)ccc1Cl

STK591760
Synonyms: 2-(4-chlorophenyl)-4-[(4-methylphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Cc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1)Cl

STK591763
Synonyms: 2-{[7-(4-methoxyphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1c(C)c(n2c1ccc(cc1)OC)C

STK591765
Synonyms: 12-(furan-2-yl)-2-(2-hydroxyphenyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccccc1O

STK851606
Synonyms: 5,6-dimethyl-3-phenyl-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nc2n(c(c1C)Nc1ccncc1)ncc2c1ccccc1

STK591783
Synonyms: N'-[5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1c(C)c(n2c1cccnc1)C)C

STK851607
Synonyms: methyl{[(2Z)-2-(3-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Smiles: COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)C)/C2=O

STK591785
Synonyms: N-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-L-alanine
Smiles: O=C(NC1CCCc2c1cccc2)N[C@H](C(=O)O)C

STK591789
Synonyms: (5E)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-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(o2)c2ccc(cc2)Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK591793
Synonyms: 1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591795
Synonyms: 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea
Smiles: Clc1cccc(c1)NC(=O)N(c1nc2c(s1)cccc2)Cc1ccco1

STK591796
Synonyms: (2E)-N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccccc1

STK591797
Synonyms: 4-[4-(methylsulfanyl)phenyl]-3,4,5,6-tetrahydrobenzo[h]quinazoline-2-thiol
Smiles: CSc1ccc(cc1)C1NC(=NC2=C1CCc1c2cccc1)S

STK591798
Synonyms: 5-chloro-3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
Smiles: Clc1ccc2c(c1)c(C)c(o2)C(=O)Nc1nonc1c1ccccc1

STK591804
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1ccc(cc1)C)N)C

STK591808
Synonyms: 4-(3-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cccc(c1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK591809
Synonyms: 4-{(2E)-2-[(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]hydrazinyl}benzoicacid
Smiles: Clc1nc2cc3OCCOc3cc2cc1/C=N/Nc1ccc(cc1)C(=O)O

STK591811
Synonyms: 6-hydroxy-3-methyl-8-(4-methylpiperidin-1-yl)-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: CC1CCN(CC1)c1nc2c(n1CCSc1nccc(n1)C)c(O)nc(=O)n2C

STK591813
Synonyms: 4-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)butanoicacid
Smiles: OC(=O)CCCNC(=O)[C@@H](NC(=O)c1cc2c(n1C)ccc(c2)Cl)C

STK591815
Synonyms: 1-amino-4-[(2-hydroxyethyl)amino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]anthracene-9,10-dione
Smiles: OCCNc1cc(N2CCN(CC2)c2ccc(cc2)OC)c(c2c1C(=O)c1ccccc1C2=O)N

STK591816
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(2-chlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1Cl)N

STK591817
Synonyms: 1,1',3,6'-tetramethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CN1CC2(Cc3c1ccc(c3)C)C(=O)N(C)C(=O)N(C2=O)C

STK591823
Synonyms: 2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1COc1ccc(cc1)C

STK591825
Synonyms: biphenyl-4-yl(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccc(cc1)c1ccccc1

STK851612
Synonyms: 1-(4-chlorophenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591829
Synonyms: 2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
Smiles: O=C(c1c(C)nc(nc1C)/N=c/1\oc2c([nH]1)cccc2)Nc1cccc(c1)C(F)(F)F

STK591831
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK591833
Synonyms: 5-[(2-chloro-6-fluorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1c(F)cccc1Cl

STK851613
Synonyms: 2-[7-(2,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nn2c(n1)c1cnn(c1nc2)c1ccc(cc1C)C

STK851615
Synonyms: 7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1cnc2c1c(=O)n(C)c(=O)n2C

STK591840
Synonyms: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2ccc(c(c2O)C)C)sc2c1CCCC2

STK591844
Synonyms: 5-methyl-7-{4-[2-(naphthalen-1-yloxy)ethyl]piperazin-1-yl}-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)CCOc2cccc3c2cccc3)n2c(n1)nc(n2)C(F)(F)F

STK851617
Synonyms: 2-[4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK591851
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-6-(4-acetylphenyl)-3-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Cc1ccc(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(=O)C

STK591852
Synonyms: {(5S)-5-(benzylcarbamoyl)-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)NCc1ccccc1

STK591855
Synonyms: 4-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-7-hydroxy-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccccc2)c2c(o1)cc(c(c2)Cl)O

STK591857
Synonyms: 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc1ccccn1

STK591859
Synonyms: 7-benzyl-1-(morpholin-4-yl)-3-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: N#Cc1c2CCN(Cc2c(nc1N1CCCC1)N1CCOCC1)Cc1ccccc1

STK851620
Synonyms: N-(2-ethylphenyl)-2-(4-hydroxy-2-imino-2,5-dihydro-1,3-thiazol-5-yl)acetamide
Smiles: CCc1ccccc1NC(=O)CC1SC(=N)N=C1O

STK591862
Synonyms: tert-butyl[(1S)-3-methyl-1-{5-[(4-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}butyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)NC(=O)OC(C)(C)C)C

STK851621
Synonyms: N-(1-methoxypropan-2-yl)-2-oxo-2H-chromene-3-carboxamide
Smiles: COCC(NC(=O)c1cc2ccccc2oc1=O)C

STK591867
Synonyms: {4-[(3aR,4R,4aR,7aS,8R,8aR)-5,7-dioxo-6-(pyridin-3-ylmethyl)-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1cccnc1

STK591872
Synonyms: 2-benzyl-1-(3-hydroxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK591873
Synonyms: N-(4-{[(2Z)-3-[(2-chlorophenyl)sulfanyl]quinoxalin-2(1H)-ylidene]sulfamoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Sc1ccccc1Cl

STK591876
Synonyms: N-(2,6-dimethylphenyl)-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1c(C)cccc1C

STK591886
Synonyms: 2-(2-hydroxyethyl)-1-[4-(methylsulfanyl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)SC)c(=O)c1c(o2)cccc1

STK591887
Synonyms: (5Z)-2-hydroxy-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccncc1)O

STK851623
Synonyms: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: N#Cc1c(NC(=O)c2cc(=O)c3c(o2)c(C)c(cc3)C)sc2c1CCCC2

STK591893
Synonyms: 6-benzyl-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)Cc1ccccc1)Cc1ccco1

STK591898
Synonyms: 3-[(3a'S,6a'R)-7-chloro-5'-(2-methoxyethyl)-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: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2Cl

STK591900
Synonyms: 1-(5-methyl-1-{2-methyl-6-[(2-phenylethyl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)ethanone
Smiles: Cc1nc(NCCc2ccccc2)cc(n1)n1ncc(c1C)C(=O)C

STK591902
Synonyms: 2-(2,4-dichlorophenyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK591911
Synonyms: (2E)-N-[(2Z)-5-{[2-(morpholin-4-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)N1CCOCC1)/C=C/c1ccccc1

STK591913
Synonyms: 1-{10-(furan-2-yl)-8-methyl-2-[(4-methylphenoxy)methyl]-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl}ethanone
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C

STK591915
Synonyms: 2-[(3,4-dichlorophenyl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(C(c2cc1OC)C)S(=O)(=O)c1ccc(c(c1)Cl)Cl

STK591921
Synonyms: 2-[2-amino-5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: Nc1nc(c2ccc(cc2O)OCc2ccccc2F)c(c(n1)C(F)(F)F)c1ccccc1

STK851624
Synonyms: 2,8,10-trimethyl-N-(propan-2-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: CC(Nc1cc(C)nc2n1nc1c2c(C)cc(n1)C)C

STK851625
Synonyms: 2-methyl-N-[2-(morpholin-4-yl)ethyl]-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2NCCN1CCOCC1)c1ccccc1

STK851626
Synonyms: 3-(furan-2-yl)-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1ccco1

STK591926
Synonyms: 1-{N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-phenylalanyl}piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)N1CC(=Nc2c1cccc2)O)Cc1ccccc1

STK591928
Synonyms: methyl4-[(3,5-dichlorophenyl)carbamoyl]-6-hydroxy-2-methyl-4,5-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)N=C(CC1C(=O)Nc1cc(Cl)cc(c1)Cl)O

STK591929
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-{2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-1H-pyrazole-3-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)cccc2

STK591931
Synonyms: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-(prop-2-en-1-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK591933
Synonyms: (2E)-N-[(2Z)-5-(benzylsulfonyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-chlorophenyl)prop-2-enamide
Smiles: O=C(/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccccc1)/C=C/c1ccccc1Cl

STK591940
Synonyms: N-[3-oxo-2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-2-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F

STK591942
Synonyms: 3-(2-hydroxyphenyl)-1-(1H-indol-3-ylmethyl)-5-(4-methoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C(NC2c1ccccc1O)(Cc1c[nH]c2c1cccc2)C(=O)O

STK851628
Synonyms: 3-[1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-yl]propan-1-ol
Smiles: OCCCc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)cccc2

STK591946
Synonyms: N-[4-(difluoromethoxy)phenyl]-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)OC(F)F)O

STK591950
Synonyms: (5E)-1-benzyl-5-{1-[(2,5-dimethoxyphenyl)amino]propylidene}-2-hydroxypyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)N/C(=C/1\C(=O)N=C(N(C1=O)Cc1ccccc1)O)/CC)OC

STK591955
Synonyms: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2-bromophenyl)-4H-imidazol-5-ol
Smiles: OC1=NC(=N/C/1=C\c1ccc2c(c1)OCO2)c1ccccc1Br

STK591956
Synonyms: 2-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-cyclopropylacetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NC1CC1

STK591957
Synonyms: 2-[(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCc1cccnc1

STK591958
Synonyms: N'-{(1E)-1-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}pyridine-4-carbohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NNC(=O)c1ccncc1

STK591959
Synonyms: 2-[8,9-diphenyl-2-(pyridin-3-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanol
Smiles: OCCn1c2ncn3c(c2c(c1c1ccccc1)c1ccccc1)nc(n3)c1cccnc1

STK851634
Synonyms: 5-(4-methylphenyl)-4-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccn1C

STK851635
Synonyms: N-[4-(4-methoxyphenyl)-6-methyl-5-oxo-2-phenyl-2,5-dihydropyridazin-3-yl]-2-methylpropanamide
Smiles: COc1ccc(cc1)c1c(NC(=O)C(C)C)n(nc(c1=O)C)c1ccccc1

STK591963
Synonyms: [2-(4-methoxyphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl](naphthalen-2-yl)methanone
Smiles: COc1ccc(cc1)c1sc2c(n1)CCN(C2)C(=O)c1ccc2c(c1)cccc2

STK851636
Synonyms: 4,7,7-trimethyl-N-(3-methylpyridin-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)Nc1ncccc1C

STK851637
Synonyms: N-(2,4-dimethoxyphenyl)-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)Nc1ccc(cc1OC)OC

STK591969
Synonyms: 9-(3-methoxyphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1cccc(c1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SC

STK851638
Synonyms: 1-ethyl-5-methoxy-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(C)n(c2c1cc(OC)cc2)CC

STK591973
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=c/1\sc2c([nH]1)cccc2)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STK591975
Synonyms: 2-(benzylsulfonyl)-6-ethoxy-4-methylquinazoline
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)S(=O)(=O)Cc1ccccc1

STK591980
Synonyms: 1-benzyl-9-methyl-2-[(4-methylpiperazin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: CN1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK591981
Synonyms: 2-[5-hydroxy-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1H-isoindole-1,3(2H)-dione
Smiles: Oc1nc2nc(nn2c(c1)N1C(=O)c2c(C1=O)cccc2)c1cccnc1

STK591985
Synonyms: (3S)-N-{(2S)-3-methyl-1-[(4-methylphenyl)amino]-1-oxobutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)[C@H](C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2

STK591986
Synonyms: 2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-methyl-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: Fc1cc(F)cc(c1)C1N=C(Nc2nc3c(s2)cccc3)N=C2C1=C(O)CC(C2)C

STK591987
Synonyms: (5Z)-3-ethyl-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O

STK591989
Synonyms: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cc(c(c1)Cl)C

STK591990
Synonyms: (3S)-N-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C(NCc1ccco1)CNC(=O)[C@H]1NCc2c(C1)cccc2

STK591998
Synonyms: (2Z)-2-[(6-chloro-4-oxo-4H-chromen-3-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: Clc1ccc2c(c1)c(=O)c(co2)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK592000
Synonyms: N-(3,4-dimethylphenyl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)C)C)O

STK851645
Synonyms: N-(5-chloro-2-methoxyphenyl)-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)Nc1cc(Cl)ccc1OC

STK851647
Synonyms: 8-(2-methoxyphenyl)-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)CC1c1ccccc1OC)c1ccccc1

STK592011
Synonyms: 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(4-sulfamoylbenzyl)propanamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)NCc1ccc(cc1)S(=O)(=O)N)C

STK851648
Synonyms: (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-imino-2,5-dihydro-1,3-thiazol-4-ol
Smiles: N=C1S/C(=C\c2c(F)cccc2Cl)/C(=N1)O

STK592018
Synonyms: 2-(methylsulfanyl)-9-[4-(methylsulfanyl)phenyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SC

STK592019
Synonyms: 2-(1H-benzimidazol-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)Cn1cnc2c1cccc2

STK592022
Synonyms: 3-[(3S,3'S,3a'R,6a'S)-5-fluoro-2,4',6'-trioxo-5'-(tetrahydrofuran-2-ylmethyl)-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CC[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cc(F)cc1

STK592023
Synonyms: 8-amino-7-(3-bromobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Brc1cccc(c1)Cn1c(N)nc2c1c(O)nc(=O)n2C

STK592024
Synonyms: 9-(3-hydroxyphenyl)-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)C2c1cccc(c1)O

STK592025
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-2-methylbenzamide
Smiles: Clc1cc(c2n(c1)c(CNC(=O)c1ccccc1C)nn2)C(F)(F)F

STK851649
Synonyms: 1-benzyl-N-(2,4-dimethoxyphenyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK592026
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)NC1CCS(=O)(=O)C1)O

STK851650
Synonyms: 7-[(2-chloro-4-fluorobenzyl)oxy]-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)F

STK592033
Synonyms: 5,6-dimethyl-N-[3-(morpholin-4-yl)propyl]-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c2c(NCCCN3CCOCC3)ncnc2n(c1C)c1ccccc1

STK592034
Synonyms: (3a'S,6a'R)-5'-tert-butyl-3'-(2-methylpropyl)-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(CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1)C

STK592037
Synonyms: methylN-[(1-benzylpiperidin-4-yl)carbamoyl]-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCN(CC1)Cc1ccccc1

STK592038
Synonyms: 6-methoxy-N-[3-(morpholin-4-yl)propyl]-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCCCN1CCOCC1

STK592041
Synonyms: (2Z)-2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Smiles: O=C1C2CCN(/C/1=C\c1cscc1)CC2

STK592044
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C

STK592046
Synonyms: (5E)-2,6-dihydroxy-5-{1-[(1-phenylethyl)amino]ethylidene}pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(/NC(c2ccccc2)C)\C)/C(=N1)O

STK592050
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCC(=O)c1ccc(cc1)Cl)N)C

STK592057
Synonyms: N-(2,5-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1cc(C)nc2c1cc(F)cc2)C

STK851651
Synonyms: 2-(1,3-benzothiazol-2-yl)-N-phenylpyridine-3-carboxamide
Smiles: O=C(c1cccnc1c1nc2c(s1)cccc2)Nc1ccccc1

STK592065
Synonyms: 2-[3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
Smiles: NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)Cc1ccco1)CCCCC3

STK592068
Synonyms: 4-(2-chlorophenyl)-5-(1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccccc1Cl)c1[nH]ncc1

STK592070
Synonyms: N-benzyl-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
Smiles: CC(C(=O)N(Cc1ccccc1)C)Cc1c[nH]c2c1cccc2

STK592073
Synonyms: 4-(4-bromophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-ol
Smiles: Brc1ccc(cc1)C1NC(=NC2=C1CCc1c2cccc1)O

STK592074
Synonyms: 2-(2-chlorobenzyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK592079
Synonyms: N-[5-hydroxy-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2)n2c(n1)nc(n2)c1ccccc1C

STK851654
Synonyms: N-[(2E)-6-(methylsulfamoyl)-1,3-benzothiazol-2(3H)-ylidene]pyridine-2-carboxamide
Smiles: CNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccccn1)/[nH]2

STK592083
Synonyms: 4-(4-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-ol
Smiles: Fc1ccc(cc1)C1NC(=NC2=C1CCc1c2cccc1)O

STK851655
Synonyms: 4-(4-benzylpiperidin-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCC(CC2)Cc2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C

STK592089
Synonyms: N-(1-benzylpiperidin-4-yl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NC1CCN(CC1)Cc1ccccc1

STK592091
Synonyms: 3-hydroxy-2-[(2E)-2-(2-methylbenzylidene)hydrazinyl]quinazolin-4(3H)-one
Smiles: Cc1ccccc1/C=N/Nc1nc2ccccc2c(=O)n1O

STK592099
Synonyms: 5-tert-butyl-7-[4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1F)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK592100
Synonyms: 2-[(3,5-dimethoxybenzyl)amino]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc(CNc2nc(=O)n3c(c2)c2cc(OC)c(cc2CC3)OC)cc(c1)OC

STK851658
Synonyms: 1-ethyl-3-nitro-4-(4-phenylpiperazin-1-yl)quinolin-2(1H)-one
Smiles: CCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])N1CCN(CC1)c1ccccc1

STK592102
Synonyms: 3-(4-methoxybenzyl)-10-methyl-2-propylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCc1nc2c(c(=O)n1Cc1ccc(cc1)OC)c(=O)c1c(n2C)cccc1

STK592104
Synonyms: N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
Smiles: CCN(C(=O)c1[nH]c2c(c1C)cc(cc2)OC)Cc1ccccc1

STK592107
Synonyms: 2-chloro-N'-{(Z)-[2-hydroxy-1-(3-methoxyphenyl)-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C/NNC(=O)c2ccccc2Cl)/C1=O)O

STK851660
Synonyms: 3-(2-chlorophenyl)-7-(2-ethyl-1H-imidazol-1-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: CCc1nccn1c1cc(C)nc2n1nc(c2c1ccccc1Cl)C

STK592109
Synonyms: N-(3-bromobenzyl)-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1cccc(c1)Cl)C1CCS(=O)(=O)C1

STK851661
Synonyms: N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)[nH]cn2)Nc1ccc(cc1)OC(F)(F)F

STK851662
Synonyms: 1-benzyl-N-(3-methoxypropyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK592110
Synonyms: ethyl4-{[2-(dimethylamino)-5-(trifluoromethyl)phenyl]amino}-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1Nc1cc(ccc1N(C)C)C(F)(F)F)n1nc(cc1C)C

STK851663
Synonyms: 1-benzyl-9-methyl-2-(pyrrolidin-1-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: O=c1c2cc(n(c2nc2n1cccc2C)Cc1ccccc1)C(=O)N1CCCC1

STK851664
Synonyms: 3-benzyl-8-(2,4-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)CC1c1ccc(cc1OC)OC)Cc1ccccc1

STK592114
Synonyms: N-[(4-methylbenzyl)carbamoyl]isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)NCc1ccc(cc1)C)C

STK592116
Synonyms: 4-[(4-benzylpiperidin-1-yl)methyl]-6,7-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCC(CC2)Cc2ccccc2)c2c(o1)cc(c(c2)C)C

STK592118
Synonyms: 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-(phenylsulfanyl)-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(Sc2ccccc2)nc2c1c(O)nc(=O)n2C

STK851665
Synonyms: 4-(4-methoxyphenyl)-N-(pyridin-4-yl)tetrahydro-2H-pyran-4-carboxamide
Smiles: COc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccncc1

STK592119
Synonyms: 7-chloro-5-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
Smiles: Nc1c(cc(c2c1non2)Cl)N1CCOCC1

STK592121
Synonyms: (3aR,6aS)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)c1ccc2c(c1)OCCO2

STK851666
Synonyms: 3-[7-(3,5-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: Oc1cccc(c1)c1nc2n(n1)cnc1c2cnn1c1cc(C)cc(c1)C

STK592126
Synonyms: 7-hydroxy-5-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)C1CC(=Nc2c1c(=O)[nH]c(n2)SCC=C)O

STK851667
Synonyms: N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)CC(C)C

STK592131
Synonyms: 6'-hydroxy-4-methyl-3'-(4-methylphenyl)-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O

STK592133
Synonyms: 2-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: Cc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccc(cc1)Cl)C

STK592137
Synonyms: 2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(onc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK592138
Synonyms: 1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1CCSc1nccc(n1)C)c(=O)n(c(=O)n2C)C

STK592139
Synonyms: ethyl4-hydroxy-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1O)N1CCN(CC1)c1ccccc1

STK592140
Synonyms: (5Z)-5-{[5-(3-fluorophenyl)furan-2-yl]methylidene}-4-hydroxy-1,5-dihydro-2H-imidazol-2-one
Smiles: Fc1cccc(c1)c1ccc(o1)/C=C/1\NC(=O)N=C1O

STK592147
Synonyms: 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: CSc1nsc(n1)SCC(=O)/N=c\1/scc([nH]1)C

STK592150
Synonyms: N,4-dimethyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C

STK592151
Synonyms: 3-(8,9-dimethylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)naphthalen-2-ol
Smiles: Oc1cc2ccccc2cc1c1nn2c(n1)c1c(nc2)oc(c1C)C

STK592152
Synonyms: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1[nH]c2c(n1)n(C)c(=O)nc2O

STK592153
Synonyms: 7-chloro-1-(3-hydroxyphenyl)-2-(3-methoxypropyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK851670
Synonyms: 2-methyl-1-(3-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CN1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)cccc1

STK592159
Synonyms: (4E)-2-(3-methoxyphenyl)-4-{[(pyridin-2-ylmethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/NCc2ccccn2)/c2c(C1=O)cccc2

STK592160
Synonyms: (3a'S,6a'R)-5-chloro-3'-(3,4-dihydroxybenzyl)-5'-(3-methoxypropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(Cl)cc2

STK851671
Synonyms: N-(3,4-difluorophenyl)-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CCn1cnc2c(c1=O)cccc2

STK592163
Synonyms: 4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1c(cccc1OC)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK592164
Synonyms: 5-[4-(dimethylamino)phenyl]-4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CN(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/C)C

STK592167
Synonyms: 2-(1,3-benzothiazol-2-yl)-5-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CC(c1[nH]n(c(=O)c1)c1nc2c(s1)cccc2)C

STK851672
Synonyms: 5-benzyl-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccccc1c1c(C)nn2c1nc(Cc1ccccc1)cc2O

STK851673
Synonyms: 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK592169
Synonyms: 3,4-dimethoxy-N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
Smiles: CSCCC(c1nnc2n1cccc2)NC(=O)c1ccc(c(c1)OC)OC

STK592172
Synonyms: 2-[4-(6-hydroxy-3-methyl-2-oxo-7-propyl-3,7-dihydro-2H-purin-8-yl)piperazin-1-yl]acetamide
Smiles: CCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)CC(=O)N

STK592179
Synonyms: 2-(4-chlorophenyl)-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: Clc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2cccnc2)C2=C(O1)CC(CC2=O)(C)C

STK592182
Synonyms: 2-benzyl-7-chloro-1-(3-hydroxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK851674
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(NCCCn2cncc2)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F

STK592188
Synonyms: 4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
Smiles: Clc1ccc(cc1)c1c(onc1C(F)(F)F)c1ccc(cc1O)O

STK851675
Synonyms: (2Z)-2-[(4-methoxyphenyl)imino]-4,7-dimethyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccc(cc1)/N=c/1\nc(C)c2c([nH]1)CC(CC2=O)C

STK592190
Synonyms: 2-(4-fluorophenyl)-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)c1ccc(cc1)F

STK851677
Synonyms: N-(2-chlorophenyl)-2-(4-hydroxy-2-imino-2,5-dihydro-1,3-thiazol-5-yl)acetamide
Smiles: O=C(Nc1ccccc1Cl)CC1SC(=N)N=C1O

STK592193
Synonyms: 1-(3-methylphenyl)-4-oxo-N-{3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-1,4-dihydropyridazine-3-carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2

STK592194
Synonyms: N-(4-{[(4E)-2-(thiophen-2-yl)-4H-chromen-4-ylidene]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1cccs1

STK592195
Synonyms: 8-[(diethylammonio)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromen-7-olate
Smiles: CC[NH+](Cc1c([O-])ccc2c1occ(c2=O)c1ccc2c(c1)OCCO2)CC

STK592201
Synonyms: N-benzyl-5-chloro-N-methyl-1H-indole-2-carboxamide
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)N(Cc1ccccc1)C

STK592205
Synonyms: 5-(pyridin-2-yl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)c(cc1/C=N/n1c(=S)[nH]nc1c1ccccn1)OC

STK592206
Synonyms: 3-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Smiles: CN1CCN(CC1)C(=O)[C@@H](n1nnc2c(c1=O)cccc2)C

STK851683
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)C)N

STK592210
Synonyms: 5-(2-hydroxy-3,4-dimethylphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK592211
Synonyms: 2-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl(2E)-3-phenylprop-2-enoate
Smiles: O=C(Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)C)/C=C/c1ccccc1

STK851684
Synonyms: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)/C2=O)CC

STK592213
Synonyms: N-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: CNC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

STK592218
Synonyms: (1S)-2-(1H-indol-3-yl)-1-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethanamine
Smiles: N[C@H](c1nnc(o1)SC/C=C/c1ccccc1)Cc1c[nH]c2c1cccc2

STK592222
Synonyms: 4-[({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)amino]butanoicacid
Smiles: OC(=O)CCCNC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK592223
Synonyms: N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-alanine
Smiles: OC(=O)[C@@H](NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C

STK851686
Synonyms: 5-[(4-fluorobenzyl)oxy]-2-[5-(4-methoxyphenoxy)pyrimidin-4-yl]phenol
Smiles: COc1ccc(cc1)Oc1cncnc1c1ccc(cc1O)OCc1ccc(cc1)F

STK592228
Synonyms: 1-{1-[6-(2-fluorophenoxy)-2-methylpyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: Cc1nc(Oc2ccccc2F)cc(n1)n1ncc(c1C)C(=O)C

STK851688
Synonyms: N-(4-methoxybenzyl)-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)OC

STK851689
Synonyms: 6-[3-(4-chlorophenoxy)propyl]-7,9-dimethyl-6H-indolo[2,3-b]quinoxaline
Smiles: Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(cc1)Cl

STK592233
Synonyms: 6-chloro-2-[(4-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)CNc1nc2n(n1)c(O)c(c(n2)C)Cl

STK592237
Synonyms: 2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-ol
Smiles: CCCc1cc(O)nc(n1)N1CCN(CC1)C

STK851690
Synonyms: 2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]butanamide
Smiles: CCC(C(=O)Nc1nonc1c1ccc(cc1)OC)Oc1ccc(cc1)F

STK592240
Synonyms: ethyl6-hydroxy-4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-4,5-dihydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=NC(=NC1c1ccc(cc1)OC)N1CCN(CC1)c1ccccc1)O

STK592244
Synonyms: (2E)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)CC(O2)C)/C(=O)NCC1CCCO1

STK592248
Synonyms: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(n1C)nc1n(c2=O)cccc1

STK592249
Synonyms: 8-(4-fluorophenyl)-4-hydroxy-1-methyl-7-phenyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Fc1ccc(cc1)n1c(cn2c1nc1c2c(O)nc(=O)n1C)c1ccccc1

STK851694
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NCC1CCCO1

STK592251
Synonyms: 6-hydroxy-3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-4H-chromen-4-one
Smiles: OC1=NC(=S)S/C/1=C\c1coc2c(c1=O)cc(cc2)O

STK851695
Synonyms: 3-(4-chlorophenyl)-N-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Fc1ccc(cc1)Nc1cc(C)nc2n1ncc2c1ccc(cc1)Cl

STK592253
Synonyms: tert-butyl(3S)-3-[(3-methoxybenzyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: COc1cccc(c1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK592254
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)C)Cc1cccnc1

STK851698
Synonyms: 4-hydroxy-6-(2-methoxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: COc1ccccc1c1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1

STK592264
Synonyms: (4E)-2-(2-chlorophenyl)-4-(furan-2-ylmethylidene)-4H-imidazol-5-ol
Smiles: OC1=NC(=N/C/1=C/c1ccco1)c1ccccc1Cl

STK592266
Synonyms: 4-{[(4Z)-2-(4-methylphenyl)quinazolin-4(3H)-ylidene]amino}benzoicacid
Smiles: Cc1ccc(cc1)c1nc2ccccc2/c(=N/c2ccc(cc2)C(=O)O)/[nH]1

STK592271
Synonyms: N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
Smiles: CCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl

STK592273
Synonyms: N-(2-hydroxypropyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CC(CNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCCC2)O

STK592275
Synonyms: (4E)-2-(3-methoxyphenyl)-4-[(pyridin-2-ylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/Nc2ccccn2)/c2c(C1=O)cccc2

STK592276
Synonyms: 7-chloro-5-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-4-amine
Smiles: Nc1c(cc(c2c1non2)Cl)N1CCCC1

STK851700
Synonyms: 5-ethoxy-4-ethyl-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-5-yl]phenol
Smiles: CCOc1cc(O)c(cc1CC)c1[nH]nc(c1c1scc(n1)C)C

STK851701
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O)CC

STK592282
Synonyms: 5-[(4-nitrobenzyl)oxy]-2-[4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol
Smiles: Oc1cc(ccc1c1[nH]nc(c1c1ccccc1)C(F)(F)F)OCc1ccc(cc1)[N+](=O)[O-]

STK592288
Synonyms: N-(2,6-dimethylphenyl)-2-({5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(o1)[C@@H]1CCCN1

STK592289
Synonyms: {[(2Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)F)/C2=O

STK851702
Synonyms: 5-[(2-methylprop-2-en-1-yl)oxy]-2-(5-phenylpyrimidin-4-yl)phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1ncncc1c1ccccc1

STK592291
Synonyms: ethylN-acetyl-2-(ethoxycarbonyl)-6-[hydroxy(2-phenylethyl)phosphoryl]norleucinate
Smiles: CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCCCP(=O)(CCc1ccccc1)O

STK592292
Synonyms: N-[(4-phenylpiperazin-1-yl)carbonyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)N1CCN(CC1)c1ccccc1)C

STK592295
Synonyms: methyl2-amino-6-benzyl-4-(2-methoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1ccccc1OC)c(=O)n(c(c2)C)Cc1ccccc1

STK851706
Synonyms: 5-phenyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Oc1cc(nc2n1nc(n2)C(F)(F)F)c1ccccc1

STK592308
Synonyms: 2-(benzylsulfanyl)-N-[(2Z)-5,5-dioxido-3-(prop-2-en-1-yl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: C=CCN1/C(=N/C(=O)CSCc2ccccc2)/SC2C1CS(=O)(=O)C2

STK592310
Synonyms: N-(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)ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK592312
Synonyms: {2-[(3aR,4R,4aR,7aS,8R,8aR)-6-cyclohexyl-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C1CCCCC1

STK851712
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCCn2cncc2)CCCC1

STK592316
Synonyms: N-(4-sulfamoylbenzyl)-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(NCc1ccc(cc1)S(=O)(=O)N)COc1ccc2c(c1C)oc(=O)c(c2C)C

STK592319
Synonyms: 6,8-dibromo-N-[2-(diethylamino)ethyl]-2,4-dihydroxyquinoline-3-carboxamide
Smiles: CCN(CCNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br)CC

STK851713
Synonyms: 4-(3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: COc1cccc(c1)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)C

STK851714
Synonyms: 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-[(4-chlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)Cl)N

STK592320
Synonyms: (4Z)-5-hydroxy-4-[(6-hydroxy-4-oxo-4H-chromen-3-yl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Oc1ccc2c(c1)c(=O)c(co2)/C=C\1/C(=NN(C1=O)c1ccccc1)O

STK592321
Synonyms: 4-{(2E)-2-[(2-chloro-6-methylquinolin-3-yl)methylidene]hydrazinyl}benzoicacid
Smiles: Cc1ccc2c(c1)cc(c(n2)Cl)/C=N/Nc1ccc(cc1)C(=O)O

STK851715
Synonyms: 7-[(2-fluorobenzyl)oxy]-3-phenyl-4H-chromen-4-one
Smiles: Fc1ccccc1COc1ccc2c(c1)occ(c2=O)c1ccccc1

STK592327
Synonyms: N-(3-chloro-4-methylphenyl)-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)Cl)C

STK592328
Synonyms: {(5S)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-[(2,4-dimethylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: COc1cc(ccc1OCC(=O)N)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1C)C

STK592329
Synonyms: 2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: N=C1N(Cc2c1cccc2)c1ccc(cc1)Oc1ccccc1

STK592330
Synonyms: 2-chloro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2Cl)n2c(n1)ncn2

STK592331
Synonyms: 1-ethyl-4-(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)piperazine
Smiles: CCN1CCN(CC1)c1nc(nn1C)[N+](=O)[O-]

STK851716
Synonyms: 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1[nH]ncc1c1ccc(c(c1)OC)OC

STK592334
Synonyms: 4-{[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl}-6-ethyl-2-oxo-2H-chromen-7-olate
Smiles: CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(CC1)c1cccc(c1)Cl

STK851718
Synonyms: 3-methyl-2-phenylimidazo[2,1-a]isoquinoline
Smiles: Cc1c(nc2n1ccc1c2cccc1)c1ccccc1

STK592338
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)NCc1ccc2c(c1)OCO2)O

STK851719
Synonyms: 8-(2-ethylphenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccccc1CC

STK592341
Synonyms: 5-(3-chlorophenyl)-6-hydroxy-1,3,8,8-tetramethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Smiles: Clc1cccc(c1)C1C2=C(O)CC(CC2=Nc2c1c(=O)n(c(=O)n2C)C)(C)C

STK851721
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(CCNc2cc(C)nc3n2nc(c3c2ccccc2OC)C)ccc1OC

STK592347
Synonyms: 7-(2-chlorophenyl)-3-(pyridin-3-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1cccnc1

STK592353
Synonyms: methylN-(1,3-benzodioxol-5-ylcarbamoyl)-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccc2c(c1)OCO2

STK592355
Synonyms: N-(4-fluorophenyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(Nc2ccc(cc2)F)n2c(n1)c(c1ccccc1)c(n2)C

STK592359
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N

STK592361
Synonyms: [(7-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]aceticacid
Smiles: OC(=O)COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)Cl

STK592362
Synonyms: 8-(4-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)c1ccc(cc1)Cl

STK592363
Synonyms: N'-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylidene]-2-hydroxybenzohydrazide
Smiles: O=C(c1ccccc1O)N/N=C/c1ccc2c(c1)OCCO2

STK851723
Synonyms: N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Smiles: COc1cc(ccc1OC)CN(C(=O)c1oc2c(c1C)ccc(c2)C)C1CCS(=O)(=O)C1

STK592367
Synonyms: N-[2-(1H-imidazol-5-yl)ethyl]-3,5-dimethoxybenzamide
Smiles: COc1cc(OC)cc(c1)C(=O)NCCc1cnc[nH]1

STK851724
Synonyms: 2-(3,4,5-trimethoxyphenyl)-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: COc1c(OC)cc(cc1OC)c1[nH]c2n(n1)c(=O)c1c(n2)CCC1

STK592368
Synonyms: N-[4-(4-chlorophenyl)-6-methyl-5-oxo-2-phenyl-2,5-dihydropyridazin-3-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)Cl)C)c1ccccc1

STK592373
Synonyms: 3-chloro-4-methoxy-N-(4-phenyl-1,2,5-oxadiazol-3-yl)benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1nonc1c1ccccc1

STK592381
Synonyms: 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCCc1ccc(cc1)S(=O)(=O)N

STK592384
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-ol
Smiles: CC(CCc1c(C)nc(nc1O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C

STK592389
Synonyms: 2,6-dihydroxy-5-(piperidin-1-ylmethyl)pyrimidine-4-carboxylicacid
Smiles: Oc1nc(O)c(c(n1)C(=O)O)CN1CCCCC1

STK592390
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK592391
Synonyms: N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]propanamide
Smiles: CCC(=O)Nc1cc(ccc1C)c1nn2c(C)nnc2c2c1cccc2

STK592393
Synonyms: N-{N-[(2E)-4,7-dimethylquinazolin-2(1H)-ylidene]carbamimidoyl}benzenesulfonamide
Smiles: Cc1ccc2c(c1)[nH]/c(=N\C(=N)NS(=O)(=O)c1ccccc1)/nc2C

STK592398
Synonyms: N-[2-hydroxy-1-(4-methoxybenzyl)-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Smiles: COc1ccc(cc1)Cn1c(O)nc(=O)c2c1NC(=O)C2(NC(=O)C)C(F)(F)F

STK592400
Synonyms: 5,6-di(furan-2-yl)-N-(pyridin-2-yl)furo[2,3-d]pyrimidin-4-amine
Smiles: c1ccc(nc1)Nc1ncnc2c1c(c1ccco1)c(o2)c1ccco1

STK592403
Synonyms: 3-(3,4-dichlorophenyl)-7-(3,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1cc(ccc1C)n1ncc2c1ncn1c2nnc1c1ccc(c(c1)Cl)Cl

STK592404
Synonyms: (5S)-3-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
Smiles: Fc1ccc(cc1)N1C(=O)N[C@H](C1=O)C

STK851729
Synonyms: ethyl7-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)c1cnc2n(c1O)nc(n2)c1ccccc1

STK592406
Synonyms: (5E)-3-butyl-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCc2c[nH]c3c2cccc3)/CC)/C1=O)O

STK592407
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-chloropyridin-2-yl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cn1)Cl

STK851732
Synonyms: 2-amino-5-(3-bromophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: O=C1Nc2nc(N)nc(c2C(C1)c1cccc(c1)Br)O

STK592409
Synonyms: (3aR,6aS)-5-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(c(c1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1C)Cl)OC

STK592410
Synonyms: N-carbamimidoyl-4-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)N/C=C\1/C(=NN(C1=O)c1ccccc1)C

STK592415
Synonyms: 4-acetyl-3-hydroxy-1-(hydroxymethyl)-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCN1C(c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)C

STK592416
Synonyms: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-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)CSc1nc2c(o1)cccc2

STK592420
Synonyms: 1-(3-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: COc1c(OC)cc(cc1OC)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)Cl

STK592424
Synonyms: N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutanamide
Smiles: O=C(NCCc1cnc[nH]1)CCCc1ccccc1

STK592425
Synonyms: ({[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}[(4-fluorophenyl)amino]methylidene)propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCC(=O)c1ccc(c(c1)OC)OC)C#N

STK592430
Synonyms: 6-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: COCCCNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)sc2c1CCCC2

STK592431
Synonyms: N-[(4-ethylphenyl)carbamoyl]-L-alanine
Smiles: CCc1ccc(cc1)NC(=O)N[C@H](C(=O)O)C

STK592434
Synonyms: 2-[(2-chlorobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)NCc1ccccc1Cl

STK851734
Synonyms: 6-hydroxy-4-(3-nitrophenyl)-2-(prop-2-en-1-ylsulfanyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: C=CCSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)[N+](=O)[O-]

STK592435
Synonyms: 2-(4-benzylpiperazin-1-yl)-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Oc1cc(CSc2nnc(s2)C)nc(n1)N1CCN(CC1)Cc1ccccc1

STK851735
Synonyms: 5-methoxy-2-[7-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]phenol
Smiles: COc1ccc(c(c1)O)c1nnc2n1cnc1c2cnn1c1ccccc1C

STK592439
Synonyms: 4-(ethylsulfanyl)-7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CCSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK592440
Synonyms: 4-imino-2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(cc1)C

STK592441
Synonyms: 9-methoxy-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: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)N1CCC(CC1)C

STK592442
Synonyms: 7-fluoro-2-(6-methylpyridin-2-yl)-1-(3-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1cccc(n1)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)F

STK592446
Synonyms: 2-methoxy-4-{(E)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl3-methyl-1-benzofuran-2-carboxylate
Smiles: COCCCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OC(=O)c2oc3c(c2C)cccc3)/C1=O

STK592458
Synonyms: 6-(furan-2-yl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccco1

STK851741
Synonyms: 1-(3-methoxypropyl)-4-oxo-N-(propan-2-yl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NC(C)C

STK592460
Synonyms: 5-bromo-6-chloro-N-(5-chloropyridin-2-yl)pyridine-3-sulfonamide
Smiles: Clc1ccc(nc1)NS(=O)(=O)c1cnc(c(c1)Br)Cl

STK592461
Synonyms: 8-bromo-N-(4-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Clc1ccc(cc1)Nc1ncnc2c1oc1c2cc(cc1)Br

STK592466
Synonyms: 3-(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoicacid
Smiles: OC(=O)CCc1nn2c(n1)c1c(nc2C)sc2c1CCCC2

STK592467
Synonyms: N'-[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: COc1ccc(cc1)c1c(oc2c1c(NCCCN(C)C)ncn2)c1ccc(cc1)OC

STK592468
Synonyms: N,N-dimethyl-N'-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)propane-1,3-diamine
Smiles: CN(CCCNc1c2CCCCc2nc2n1nc(c2c1ccccc1)C)C

STK592470
Synonyms: 5-butyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-4,6-diol
Smiles: CCCCc1c(O)nc(nc1O)N1CCc2c(C1)cccc2

STK592472
Synonyms: 1-(3,4-dimethoxyphenyl)-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK592473
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)C)C)O

STK592474
Synonyms: N-(2,4-difluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: O=C(Nc1ccc(cc1F)F)CCCn1nnc2c(c1=O)cccc2

STK592475
Synonyms: 6-chloro-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C

STK592479
Synonyms: 4-ethyl-9-(2-methoxyethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COCCN1COc2c(C1)c1oc(=O)cc(c1cc2)CC

STK851744
Synonyms: (2Z)-3-[(5-fluoro-2-methylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(F)ccc1C)/c1scc(n1)c1cc2ccccc2oc1=O

STK592480
Synonyms: 4-(2-bromo-4-methylphenyl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(c(c1)Br)n1c(=S)[nH]nc1c1[nH]nc(c1)c1ccco1

STK592481
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thiophene-2-carboxamide
Smiles: Oc1cc(NC(=O)c2cccs2)n2c(n1)nc(n2)CCc1ccccc1

STK592483
Synonyms: 7-bromo-1-(3-methoxyphenyl)-2-(4-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK592484
Synonyms: (4E)-2-(2,3-dichlorophenyl)-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(c1Cl)Cl

STK592485
Synonyms: 4-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2

STK592489
Synonyms: N~5~-carbamoyl-N~2~-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-ornithine
Smiles: NC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C(C)C

STK592490
Synonyms: 2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc1cccnc1

STK851746
Synonyms: 2,4-dichloro-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK592495
Synonyms: N-(1,3-benzodioxol-5-yl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc2c(c1)OCO2

STK592496
Synonyms: 5-(4-fluorophenyl)-4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1

STK592497
Synonyms: 1-[10-(furan-2-yl)-8-methyl-2-(phenoxymethyl)-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)COc1ccccc1

STK592500
Synonyms: (5Z)-3-(3-methoxypropyl)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O

STK851747
Synonyms: 2-{2-[(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]ethoxy}ethanol
Smiles: OCCOCCNc1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK592509
Synonyms: 2-amino-4-(3,4-dichlorophenyl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cl)Cl)c(O)nc(c2)C

STK592511
Synonyms: 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one
Smiles: COc1cc(ccc1OC)Cc1c(=O)nc(n(c1O)Cc1ccccc1)O

STK592513
Synonyms: 1-(3-chlorophenyl)-2-hydroxy-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1cccc(c1)n1c(O)nc(=O)c2c1NCN(C2)C(C)C

STK592514
Synonyms: 10-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: C=CCc1cccc(c1O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK592519
Synonyms: 1-(3-ethoxy-4-hydroxyphenyl)-2-(4-fluorobenzyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)F)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK592521
Synonyms: N-{3-[(furan-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2

STK592525
Synonyms: 5-(2,3-dimethoxyphenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1c(OC)cccc1C1CC(=Nc2c1c(=O)nc(n2C)SC)O

STK592532
Synonyms: 3-(4-chlorophenyl)-7,8,8a,9-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-4(6H)-one
Smiles: Clc1ccc(cc1)c1csc2c1C(=O)N1C(N2)CCC1

STK592533
Synonyms: (3R)-N-{(2S)-1-[(4-fluorobenzyl)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: Fc1ccc(cc1)CNC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK851754
Synonyms: ethyl(7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)cc(n2)C

STK592538
Synonyms: 2-(biphenyl-4-yl)-7-methyl-5-oxo-3,5-dihydroindolizine-6-carbonitrile
Smiles: N#Cc1c(C)cc2n(c1=O)CC(=C2)c1ccc(cc1)c1ccccc1

STK851755
Synonyms: N-[3-(morpholin-4-yl)propyl]-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCCCN2CCOCC2)n2c(n1)c(cn2)c1ccccc1)C

STK592539
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(4-ethenylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)C=C)N

STK851756
Synonyms: ethyl4-(furan-2-yl)-6-hydroxy-2-(piperidin-1-yl)-4,5-dihydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=NC(=NC1c1ccco1)N1CCCCC1)O

STK592540
Synonyms: 5,6-dimethyl-N-[3-(morpholin-4-yl)propyl]-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(NCCCN1CCOCC1)ncn2)c1cccnc1

STK592544
Synonyms: (3R,3'S,5'R)-5'-benzyl-N-(4-fluorophenyl)-5-methyl-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: Cc1ccc2c(c1)[C@@]1(N[C@H](C[C@@H]1C(=O)Nc1ccc(cc1)F)Cc1ccccc1)C(=O)N2

STK592548
Synonyms: N-(4-chlorophenyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(Nc2ccc(cc2)Cl)n2c(n1)c(c1ccccc1)c(n2)C

STK851759
Synonyms: N'-[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]pyridine-4-carbohydrazide
Smiles: O=C(CC1SC(=O)NC1=O)NNC(=O)c1ccncc1

STK592554
Synonyms: 1-amino-2-(benzylamino)-4-[(2-hydroxyethyl)amino]anthracene-9,10-dione
Smiles: OCCNc1cc(NCc2ccccc2)c(c2c1C(=O)c1ccccc1C2=O)N

STK592555
Synonyms: N-[(2Z)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F

STK592557
Synonyms: N~5~-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Smiles: COc1cc(CCNc2nc3[nH]nc(c3c3c2CN(C)CC3)N)ccc1OC

STK592558
Synonyms: 1-{N-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]-L-leucyl}piperidine-4-carboxylicacid
Smiles: CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2)C

STK592563
Synonyms: 1-(4-methoxyphenyl)-5-oxo-N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]pyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCc2c1cccc2)C

STK592570
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK592580
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C

STK592582
Synonyms: (2Z)-2-cyano-N-(3-methoxyphenyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
Smiles: N#C/C(=C/c1ccc2c(c1)CC(O2)C)/C(=O)Nc1cccc(c1)OC

STK592584
Synonyms: 4-{(2E)-2-[(6-{2-[acetyl(methyl)amino]ethyl}-4-methoxy-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}benzoicacid
Smiles: COc1c(/C=N/Nc2ccc(cc2)C(=O)O)c(CCN(C(=O)C)C)cc2c1OCO2

STK592585
Synonyms: 3-[(3a'S,6a'R)-5-chloro-5'-(2-methoxyethyl)-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: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cc(Cl)cc2

STK592586
Synonyms: methyl{7-hydroxy-5-methyl-2-[(naphthalen-1-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)NCc1cccc2c1cccc2

STK592588
Synonyms: 2,2-bis(trifluoromethyl)-2,3-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4(1H)-one
Smiles: O=C1NC(Nc2n1c1ccccc1n2)(C(F)(F)F)C(F)(F)F

STK592589
Synonyms: (3R)-1,7-dithia-4-azaspiro[4.4]nonane-3-carboxylicacid
Smiles: OC(=O)[C@@H]1CSC2(N1)CSCC2

STK592592
Synonyms: (1E)-N-hydroxy-2-(isoquinolin-1-yl)cyclohexanimine
Smiles: O/N=C/1\CCCCC1c1nccc2c1cccc2

STK592597
Synonyms: N-[3-(2-fluorophenyl)-1',3'-dimethyl-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl]propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)CC1(C3N2CCN(C3)c2ccccc2F)C(=O)N(C)C(=O)N(C1=O)C

STK592598
Synonyms: 7-(2-chlorophenyl)-2-(4-ethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1Cl

STK851765
Synonyms: ethyl5-(2-amino-2-oxoethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)N)cc2)c1ccc(cc1)OC

STK851766
Synonyms: 4-oxo-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1

STK592600
Synonyms: 5-hydrazinyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: NNc1nc2sc3c(c2c2n1ncn2)CCCC3

STK592604
Synonyms: 8-(2,4-dimethoxyphenyl)-4-hydroxy-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2(6H)-one
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(O)nc(=O)n1C

STK592605
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK851767
Synonyms: 2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-7-methyl-4H-chromen-4-one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)c2c(o1)cc(cc2)C

STK592607
Synonyms: 3-(2-hydroxyethyl)-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: OCCn1cnc2c(c1=O)n(C)c1c2cccc1

STK592608
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK592610
Synonyms: 1-amino-4-[(3-fluorophenyl)amino]-2-[(2-hydroxyethyl)amino]anthracene-9,10-dione
Smiles: OCCNc1cc(Nc2cccc(c2)F)c2c(c1N)C(=O)c1c(C2=O)cccc1

STK851768
Synonyms: 5-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2

STK851769
Synonyms: 1-(3-methoxypropyl)-N-(4-methylbenzyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccc(cc1)C

STK592612
Synonyms: 1-[5-hydroxy-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-2,5-dione
Smiles: O=C1CCC(=O)N1c1cc(O)nc2n1nc(n2)COc1ccccc1

STK851770
Synonyms: 3-(2-methoxyethyl)-8-(3-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)c1cccc(c1)OC)C

STK592616
Synonyms: 2-amino-1-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCC1

STK592618
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-methylpropanamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)C)CCN1C(=S)S/C(=C/c2ccco2)/C1=O

STK592620
Synonyms: 5-(4-chlorophenyl)-1,3-dimethyl-10-[(E)-2-phenylethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)c1c2c(c3n1CCOC3/C=C/c1ccccc1)n(C)c(=O)n(c2=O)C

STK592621
Synonyms: 4-{[(E)-(4-methylphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C)C

STK592624
Synonyms: (4E)-2-phenyl-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/Nc2ncccn2)/c2ccccc2C(=O)N1c1ccccc1

STK592625
Synonyms: (2R)-2-amino-3-methyl-N'-[(E)-quinolin-6-ylmethylidene]butanehydrazide(non-preferredname)
Smiles: CC([C@H](C(=O)N/N=C/c1ccc2c(c1)cccn2)N)C

STK592626
Synonyms: (5Z)-3-(2-methoxyethyl)-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC(C)C)c2ccccc2)/C1=O

STK592627
Synonyms: 2-methyl-8-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK851772
Synonyms: 6,7-dimethyl-4-oxo-N-(4-sulfamoylphenyl)-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)C)C)Nc1ccc(cc1)S(=O)(=O)N

STK592630
Synonyms: 5-({[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O)Nc1ccc(c(c1)C(=O)O)O

STK592636
Synonyms: methylN-{[5-(4-hydroxyphthalazin-1-yl)-2-methylphenyl]carbamoyl}-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc(ccc1C)c1nnc(c2c1cccc2)O)CC(C)C

STK592639
Synonyms: 2-{(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2)NCc1ccco1

STK851775
Synonyms: 8-(4-fluorophenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(cc1)F)C

STK851776
Synonyms: N-(3-chloro-4-fluorophenyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1C)nc1n(c2=O)cccc1C)Nc1ccc(c(c1)Cl)F

STK592644
Synonyms: (E)-1-(3,4-dimethoxyphenyl)-N-[(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine
Smiles: COc1cc(/C=N/OCc2nn3c(n2)c2c(nc3)sc3c2CCC(C3)C)ccc1OC

STK592645
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK592653
Synonyms: 2,12-di(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)c1cccnc1

STK592654
Synonyms: 2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1O)C1N(Cc2ccco2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK592655
Synonyms: 1-(1-hydroxy-3-methyl-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)ethanone
Smiles: CC1CC(=C2C(=Nc3ccccc3N(C2c2ccccc2)C(=O)C)C1)O

STK592658
Synonyms: N-[(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N\C(=O)COc2ccccc2)/s1

STK592659
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Smiles: Cc1ccc2c(c1)oc(c2C)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK851779
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-4-chloro-2-nitrobenzamide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])C(=O)/N=c/1\sc2c([nH]1)cccc2

STK592663
Synonyms: N-[3-(1,3-benzodioxol-5-yl)-6-chloro-4-oxo-4H-chromen-2-yl]benzamide
Smiles: Clc1ccc2c(c1)c(=O)c(c(o2)NC(=O)c1ccccc1)c1ccc2c(c1)OCO2

STK851781
Synonyms: 3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1cc(O)n2c(n1)c(c(n2)C)c1ccccc1Cl

STK592668
Synonyms: 2-[5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)C

STK592671
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)c(C)cc(c1)C

STK592672
Synonyms: (3,5-dichlorophenyl)(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1cc(Cl)cc(c1)Cl

STK851782
Synonyms: methyl{2-[(4-chlorobenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1=O)nc([nH]2)NCc1ccc(cc1)Cl

STK592676
Synonyms: 4-amino-3-methyl-N-[3-(propan-2-yloxy)propyl]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: CC(OCCCNC(=O)c1sc(=S)n(c1N)C)C

STK592678
Synonyms: N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)C

STK592684
Synonyms: 11-(2-chlorophenyl)-10-methyl-8-phenyl-2-(pyridin-4-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccncc1)c1ccccc1

STK592694
Synonyms: 7-[3-(dimethylamino)propyl]-N-(2-methoxyphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: COc1ccccc1Nc1ncnc2c1c(C)c(n2CCCN(C)C)C

STK592695
Synonyms: 1-[2-(2-chlorophenyl)-10-(furan-2-yl)-8-methyl-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)c1ccccc1Cl

STK592697
Synonyms: N-[(4-acetylphenyl)carbamoyl]-L-alanine
Smiles: O=C(N[C@H](C(=O)O)C)Nc1ccc(cc1)C(=O)C

STK592699
Synonyms: 8-(4-chlorophenyl)-4-hydroxy-1-methyl-7-phenyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Clc1ccc(cc1)n1c(cn2c1nc1c2c(O)nc(=O)n1C)c1ccccc1

STK592703
Synonyms: N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1

STK592704
Synonyms: (2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: Brc1cccc(c1)NC(=O)[C@@H](n1cnc2c(c1=O)cccc2)C

STK592705
Synonyms: 3-(3-chlorophenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: Clc1cccc(c1)C1CC(=C2C(=Nc3ccccc3N=C2)C1)O

STK851784
Synonyms: N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COCCNc1cc(C)nc2n1nc(c2c1ccc(cc1)C)C

STK592713
Synonyms: (5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)C(c1ccccc1)C

STK851787
Synonyms: 5-methyl-3-phenyl-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(NCc2cccnc2)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F

STK592715
Synonyms: 5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2,7-dimethyl-N-(pyridin-2-yl)-4,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: COc1cc(ccc1O)C1C(=C(C)N=C2C1=C(O)CC(C2)C)C(=O)Nc1ccccn1

STK592721
Synonyms: 5-benzyl-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-4,6-diol
Smiles: Oc1nc(nc(c1Cc1ccccc1)O)N1CCc2c(C1)cccc2

STK592728
Synonyms: 4-chloro-N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK592729
Synonyms: 6-chloro-5-methyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1Cl)O)COc1ccccc1

STK592732
Synonyms: 5-(4-fluorophenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: OC(=O)C1NC(C2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1O

STK592737
Synonyms: 5-(4-bromophenyl)-3-hydroxy-1-(2-hydroxyethyl)-4-[(1E)-N-(4-methoxyphenyl)ethanimidoyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCN1C(c2ccc(cc2)Br)C(=C(C1=O)O)/C(=N/c1ccc(cc1)OC)/C

STK592738
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: COCCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)ccc2O)sc2c1CCCC2

STK592748
Synonyms: 1-(4-hydroxyphenyl)-3-methyl-1H-pyrrole-2,5-dione
Smiles: Oc1ccc(cc1)N1C(=O)C=C(C1=O)C

STK592755
Synonyms: 7-methyl-6-(3-{[2-(propan-2-yloxy)benzyl]oxy}propyl)-6H-indolo[2,3-b]quinoxaline
Smiles: CC(Oc1ccccc1COCCCn1c2nc3ccccc3nc2c2c1c(C)ccc2)C

STK851795
Synonyms: 3-(2,4-dimethoxyphenyl)-8-(4-methylphenyl)-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)C)c1ccc(cc1OC)OC

STK592756
Synonyms: 5,6-di(furan-2-yl)-N-[3-(morpholin-4-yl)propyl]furo[2,3-d]pyrimidin-4-amine
Smiles: O1CCN(CC1)CCCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1

STK851798
Synonyms: 6'-amino-3',5-dimethyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(C)cc1)c(C)nn2c1ccccc1

STK592765
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1c(C)cc(cc1C)C

STK592767
Synonyms: (2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1nc2c([nH]1)cccc2)C

STK592770
Synonyms: 12'-methyl-1-phenyl-15',16'-dihydro-3H,4b'H,5H,6'H,7'H-spiro[pyrazolidine-4,5'-pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline]-3,5,7'-trione
Smiles: O=c1c2CC3(C(=O)NN(C3=O)c3ccccc3)C3N(c2nc2n1cccc2C)CCc1c3cccc1

STK592771
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(3,4-dichlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N

STK592772
Synonyms: 2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(o1)[C@H](C(C)C)N

STK592779
Synonyms: 2-[(2-chlorobenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Clc1ccccc1CNc1[nH]c2n(n1)c(=O)c(c(n2)C)C

STK592780
Synonyms: 2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: CCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc1ccncc1

STK592783
Synonyms: N-(3-chloro-4-methylphenyl)-5-hydroxy-2-oxo-2,3,4,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: O=C1N=C2CCCC(=C2C(C1)C(=O)Nc1ccc(c(c1)Cl)C)O

STK592788
Synonyms: 3-hydroxy-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4(3H)-one
Smiles: C/C(=N\Nc1nc2ccccc2c(=O)n1O)/c1ccccc1

STK851801
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: Cc1cc(NCCC2=CCCCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK592792
Synonyms:
Smiles: CCC([C@@H](C(=O)NCCC(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)Cl)C

STK592794
Synonyms: 1-[2-(2,4-dichlorophenyl)-10-(furan-2-yl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: Clc1ccc(c(c1)Cl)c1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C

STK592799
Synonyms: methyl{2-[(2,4-dichlorobenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1=O)nc([nH]2)NCc1ccc(cc1Cl)Cl

STK592800
Synonyms: 8-{[benzyl(methyl)ammonio]methyl}-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COc1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](Cc1ccccc1)C)[O-]

STK851802
Synonyms: 3-(2-amino-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4-yl)phenol
Smiles: Oc1cccc(c1)C1N=C(N)N=c2n1c1ccccc1[nH]2

STK592811
Synonyms: 2-{(E)-[1-(2-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-N-phenylhydrazinecarbothioamide
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\NNC(=S)Nc2ccccc2)/C1=O)S

STK851804
Synonyms: 1-benzyl-N-(4-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK592829
Synonyms: N-benzyl-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)NCc1ccccc1

STK851806
Synonyms: 6-ethoxy-3-(4-fluorophenyl)-3a,5,5-trimethyl-3,3a,4,5-tetrahydrocyclopenta[de]quinazolin-2-ol
Smiles: CCOc1ccc2c3c1C(C)(C)CC3(C)N(C(=N2)O)c1ccc(cc1)F

STK592834
Synonyms: methylN-{(E)-[2-hydroxy-4,6-dioxo-1-(2-phenylethyl)-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)CCc1ccccc1)O

STK592837
Synonyms: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-4H-imidazol-5-ol
Smiles: CC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=N1)O

STK592838
Synonyms: (1R,2S)-2-[benzyl(2-phenylethyl)carbamoyl]cyclohexanecarboxylicacid
Smiles: OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)CCc1ccccc1

STK592842
Synonyms: 5-(2-hydroxyphenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccccc1O

STK592848
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: O=c1[nH]c2c(cc1CN(S(=O)(=O)c1ccccc1)CC1CCCO1)cccc2C

STK851807
Synonyms: (5E)-3-(4-fluorobenzyl)-6-hydroxy-5-(4-hydroxy-3-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(ccc1O)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O

STK592850
Synonyms: (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N1CCC2(CC1)OCCO2

STK592854
Synonyms: methylN-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)Nc1cc(ccc1C)c1n[nH]c(=O)c2c1cccc2

STK592856
Synonyms: N-[5-(4-bromophenyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
Smiles: Brc1ccc(cc1)C1=CC(n2c(=N1)[nH]c(n2)NS(=O)(=O)C)c1ccccc1

STK851808
Synonyms: prop-2-en-1-yl{[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
Smiles: C=CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1cccc(c1)OC)C(F)(F)F

STK592858
Synonyms: (5E)-5-[1-(azepan-1-ylamino)ethylidene]-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(\NN2CCCCCC2)/C)/C(=O)N1c1ccccc1C

STK592860
Synonyms: S-methyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-cysteinyl-S-benzyl-L-cysteine
Smiles: CSC[C@@H](C(=O)N[C@H](C(=O)O)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK592861
Synonyms: 2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(ncnc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1C

STK592862
Synonyms: 4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1ccccn1

STK592868
Synonyms: 8-bromo-7-ethyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCn1c(Br)nc2c1c(O)nc(=O)n2C

STK851811
Synonyms: N-benzyl-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)NCc1ccccc1)C

STK592872
Synonyms: 2-[4-(2-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: COc1ccccc1c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK592878
Synonyms: (2Z)-6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: Clc1ccc(cc1)C(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O

STK592880
Synonyms: N-{2-[(3-fluoro-4-methylphenyl)carbonyl]-1-benzofuran-3-yl}-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(c(c1)F)C

STK851814
Synonyms: N-(4-tert-butylbenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)(C)C

STK592883
Synonyms: 5-tert-butyl-2-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(CCNc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C)C

STK592887
Synonyms: methyl4-[(E)-{[3-(4-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccc(cc1)F

STK592893
Synonyms: N-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: Fc1ccc2c(c1)sc(n2)NC(=O)c1n[nH]c(c1)c1ccccc1O

STK592896
Synonyms: 2-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoicacid
Smiles: CC(C(N1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O)C(=O)O)C

STK592897
Synonyms: 1-[10-(furan-2-yl)-2,8-dimethyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: Cc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C

STK851816
Synonyms: N-[(2E)-6-(diethylsulfamoyl)-1,3-benzothiazol-2(3H)-ylidene]pyridine-3-carboxamide
Smiles: CCN(S(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cccnc1)/[nH]2)CC

STK592900
Synonyms: (1Z)-3-(4-tert-butylphenoxy)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)butan-2-one
Smiles: O=C(C(Oc1ccc(cc1)C(C)(C)C)C)/C=C/1\NCCc2c1cc1OCOc1c2

STK592901
Synonyms: ethyl2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-methyl-4-oxo-3,4,4a,7a-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)C2C(S1)N=C(NC2=O)CN1CCc2c(C1)cc(c(c2)OC)OC

STK592903
Synonyms: 1-(3-hydroxyphenyl)-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)O)c(=O)c1c(o2)c(C)cc(c1)C

STK592906
Synonyms: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(3-methylthiophen-2-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1sccc1C

STK592910
Synonyms: N-butyl-5,6-dimethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: CCCCN(C(=O)c1cc2c([nH]1)cc(c(c2)OC)OC)Cc1cccs1

STK592922
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}thiophene-2-carboxamide
Smiles: Clc1cc(c2n(c1)c(CNC(=O)c1cccs1)nn2)C(F)(F)F

STK592923
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCOc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C

STK592926
Synonyms: 4-(5-{(E)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}furan-2-yl)benzenesulfonamide
Smiles: O=C(c1ccncc1)N/N=C/c1ccc(o1)c1ccc(cc1)S(=O)(=O)N

STK592928
Synonyms: N-[(3,5-dimethylpiperidin-1-yl)carbonyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)N1CC(C)CC(C1)C)C

STK592931
Synonyms: (5Z)-3-(4-chlorobenzyl)-2-hydroxy-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-3,5-dihydro-4H-imidazol-4-one
Smiles: Clc1ccc(cc1)CN1C(=N/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/C1=O)O

STK592933
Synonyms: 7-(3,5-difluorophenyl)-2-ethyl-5-(furan-2-yl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CCc1nn2c(=NC(=CC2c2cc(F)cc(c2)F)c2ccco2)[nH]1

STK592935
Synonyms: N-[1-methyl-3-(naphthalen-1-yl)-4-oxo-1,4-dihydroquinolin-2-yl]butanamide
Smiles: CCCC(=O)Nc1c(c(=O)c2c(n1C)cccc2)c1cccc2c1cccc2

STK592937
Synonyms: N-(2-carbamoylphenyl)-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)Nc1ccccc1C(=O)N

STK851822
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccc(c(c1)OC)OC)C

STK592938
Synonyms: 9-(3,5-difluorophenyl)-6-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2cc(F)cc(c2)F)ncn3)C1)O

STK851824
Synonyms: 2-(3-hydroxy-2H-1,4-benzothiazin-2-yl)-N-(4-methoxybenzyl)acetamide
Smiles: COc1ccc(cc1)CNC(=O)CC1Sc2ccccc2N=C1O

STK592954
Synonyms: 4-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-5,7-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccccc2)c2c(o1)cc(c(c2C)Cl)C

STK592955
Synonyms: 2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-3-hydroxyquinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)/C=N/Nc1nc2ccccc2c(=O)n1O

STK592960
Synonyms: 2-methyl-3,9-diphenyl-5,6,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2)nc(c3c2ccccc2)C)CCC1

STK592961
Synonyms: N-(2,6-dimethylphenyl)-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1c(C)cccc1C

STK592962
Synonyms: 4-{[({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)O

STK851826
Synonyms: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-3-nitroquinolin-2(1H)-one
Smiles: CCn1c(=O)c([N+](=O)[O-])c(c2c1cccc2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK851827
Synonyms: 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(cn2)c1ccccc1)C

STK592964
Synonyms: (3aR,6aS)-5-cyclohexyl-3-(2,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(OC)ccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)C1CCCCC1

STK592965
Synonyms: N-[(3-hydroxyquinoxalin-2-yl)(phenyl)methyl]-N-phenylacetamide
Smiles: Oc1nc2ccccc2nc1C(N(c1ccccc1)C(=O)C)c1ccccc1

STK592966
Synonyms: 3-[(3a'S,6a'R)-5'-tert-butyl-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: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK592973
Synonyms: 3-(2-hydroxyphenoxy)-N-[3-(2-methoxyphenyl)-3-methylpentyl]propanamide
Smiles: COc1ccccc1C(CCNC(=O)CCOc1ccccc1O)(CC)C

STK851833
Synonyms: 3-(4-methoxyphenyl)-7-[(2-methylprop-2-en-1-yl)oxy]-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCC(=C)C

STK592977
Synonyms: N-[(3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-4-yl)carbonyl]-L-alanine
Smiles: C[C@@H](C(=O)O)NC(=O)c1cccc2c1C(=O)N(C2)c1ccccc1

STK851834
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(3-chlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1cccc(c1)Cl)N

STK592979
Synonyms: 2-(5-methoxy-1,3-benzothiazol-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: COc1ccc2c(c1)nc(s2)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)O

STK851836
Synonyms: 1,7-dimethyl-8-(2-methylphenyl)-3-(2-methylpropyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1C)C)C

STK592980
Synonyms: (5Z)-5-(2-fluorobenzylidene)-3-{2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl}-2-thioxo-1,3-thiazolidin-4-one
Smiles: OCCC1CCCCN1C(=O)CN1C(=S)S/C(=C\c2ccccc2F)/C1=O

STK592985
Synonyms: 4-[(2E)-2-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)hydrazinyl]benzoicacid
Smiles: N#CC1=C(C)/C(=N\Nc2ccc(cc2)C(=O)O)/C(=O)N=C1O

STK851837
Synonyms: 4-(4-fluorophenyl)-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)F

STK851838
Synonyms: 4-(2-fluorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: O=C1N(Cc2ccco2)C(c2c1n[nH]c2c1ccccc1O)c1ccccc1F

STK592993
Synonyms: {[(2Z)-2-(4-chlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)Cl)/C2=O

STK851840
Synonyms: 6-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: COc1cc(OC)ccc1C1NC(=NC(=C1C(=O)Nc1cc(C)ccc1C)C)O

STK592996
Synonyms: 7-(4-ethylpiperazin-1-yl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccc(cc1)C)C

STK851841
Synonyms: 6-chloro-4-oxo-N-(4-sulfamoylbenzyl)-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)NCc1ccc(cc1)S(=O)(=O)N

STK592999
Synonyms: 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide
Smiles: CCN1CCCC1CNC(=O)c1cc2c([nH]1)ccc(c2)Cl

STK593001
Synonyms: 1-(2-fluorophenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1cc(C)c2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1F)Cc1cccnc1

STK593004
Synonyms: 2-hydroxy-N'-[(E)-(2-hydroxy-7-methoxyquinolin-3-yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)c1ccccc1O)O

STK851842
Synonyms: 7-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1cc(C)ccc1C

STK593010
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccccc1)O

STK851843
Synonyms: (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-ylbenzenesulfonate
Smiles: COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccccc1

STK593013
Synonyms: 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK593014
Synonyms: N-(5-bromopyridin-2-yl)-5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Brc1ccc(nc1)Nc1ncnc2c1c(C)c(n2c1cccnc1)C

STK851844
Synonyms: 8-(2-chloro-6-fluorophenyl)-3-(furan-2-ylmethyl)-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)CC1c1c(F)cccc1Cl)Cc1ccco1

STK593019
Synonyms: 2-hydroxy-5-({[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoicacid
Smiles: COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)C(=O)O)O

STK851846
Synonyms: 1-benzyl-N-(2,4-dimethoxyphenyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK593022
Synonyms: (1S,2S)-N'-[(E)-(4-hydroxyphenyl)methylidene]-2-phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(cc1)O

STK851849
Synonyms: N-[4-(diethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide
Smiles: CCN(c1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=O)(=O)C1)CC

STK593023
Synonyms: (5E)-5-{[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2-hydroxy-3-(4-methylbenzyl)-3,5-dihydro-4H-imidazol-4-one
Smiles: Cc1ccc(cc1)CN1C(=N/C(=C/c2cc(n(c2C)c2ccccn2)C)/C1=O)O

STK593032
Synonyms: 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCCCn1cncc1

STK593034
Synonyms: (E)-1-(2-chlorophenyl)-N-[(10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine
Smiles: Clc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK593035
Synonyms: (2E,5Z)-2-{[4-chloro-2-(trifluoromethyl)phenyl]imino}-5-(1H-indol-3-ylmethylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Clc1ccc(c(c1)C(F)(F)F)/N=C\1/S/C(=C\c2c[nH]c3c2cccc3)/C(=N1)O

STK593040
Synonyms: 2,10-dimethyl-8,11-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)c(C)nn2c1ccccc1

STK593041
Synonyms: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1)n1c(=S)sc(c1N)C(=O)NCc1ccc2c(c1)OCO2

STK593044
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C)C

STK593046
Synonyms: 5-bromo-4-hydroxy-1-(tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Smiles: Oc1nc(=O)n(cc1Br)C1CCCO1

STK593048
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)O

STK593049
Synonyms: 8-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCCCN1CCN(CC1)C

STK593055
Synonyms: 7-(2-methylphenyl)-3-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1cccc(c1)c1nnc2n1cnc1c2cnn1c1ccccc1C

STK593057
Synonyms: N-(2,1,3-benzoxadiazol-4-yl)-2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: O=C(Nc1cccc2c1non2)CN1C(=O)S/C(=C\c2ccccc2)/C1=O

STK593059
Synonyms: 4-(5-{(E)-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}furan-2-yl)benzenesulfonamide
Smiles: NS(=O)(=O)c1ccc(cc1)c1ccc(o1)/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1

STK593062
Synonyms: 7-methyl-N~5~-(tetrahydrofuran-2-ylmethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Smiles: CN1CCc2c(C1)c(NCC1CCCO1)nc1c2c(N)n[nH]1

STK851853
Synonyms: N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-(propan-2-yl)-1H-pyrazole-3-carbohydrazide
Smiles: Fc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c(c1)C(C)C)/C

STK593065
Synonyms: methyl2-hydroxy-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
Smiles: COC(=O)c1ccc2c(c1)nc(n(c2=O)c1ccccc1)O

STK851855
Synonyms: 4-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

STK593069
Synonyms: 3-[4-(methoxycarbonyl)phenoxy]-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCN(CC1)C)[O-]

STK593073
Synonyms: 2-[4-(dimethylamino)phenyl]-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCCCOc2c1)c1ccc(cc1)N(C)C

STK593076
Synonyms: 4-{[(3Z)-6-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-4-oxobutanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1ccc(cc1c2)C

STK593078
Synonyms: 2-methoxy-N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
Smiles: COCC(=O)Nc1nn2c(n1)NC(CC2c1ccccc1)C

STK593079
Synonyms: 7-hydroxy-1-methyl-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1c(ccc(c1OC)OC)C1CC(=Nc2c1c(=O)nc(n2C)SC)O

STK593081
Synonyms: 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)NCc1cccnc1

STK593082
Synonyms: 1-(3-ethoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK851856
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-cyclopentyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1C1CCCC1

STK851857
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCOCC1

STK851858
Synonyms: 1-benzyl-9-methyl-4-oxo-N-(pyridin-3-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)NCc1cccnc1

STK593089
Synonyms:
Smiles: CCC([C@H](C(=O)O)NC(=O)NC1CCCCC1C)C

STK851859
Synonyms: N-(2-methoxyethyl)-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COCCNc1c(C)c(C)nc2n1ncc2c1ccccc1

STK593095
Synonyms: 2-[4-(2-ethoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK593096
Synonyms: 7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C