COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
Direct access:
STK584299
Synonyms: 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)NCc1cccnc1
STK584301
Synonyms: N'-[(E)-{1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=NC(=O)N(C1=O)CCc1ccc(cc1)F)O
STK850114
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-4-ol
Smiles: COCc1cc(O)nc(n1)N1CCN(CC1)c1ccccc1F
STK584302
Synonyms: 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: Nc1sc(c(n1)c1c(C)[nH]c2c1cccc2)C
STK584303
Synonyms: tert-butyl(3S)-3-{[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: CC([C@@H](C(=O)NC1CCCC1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C
STK850116
Synonyms: N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: COc1ccc2c(c1)s/c(=N\C(=O)c1ccco1)/[nH]2
STK850117
Synonyms: 8-[(diethylammonio)methyl]-3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)Oc1cc(C)cc(c1)C)C(F)(F)F)CC
STK584313
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-hydroxy-1,3-thiazole-2(5H)-thione
Smiles: S=C1N=C(/C(=C/c2nc3c([nH]2)cccc3)/S1)O
STK584315
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2-ethoxyphenyl)-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCOc1ccccc1n1c(O)nc(c(c1=O)C1NCCc2c1cc(OC)c(c2)OC)O
STK584317
Synonyms: N-{[4-(propan-2-yl)phenyl]carbamoyl}-D-methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)Nc1ccc(cc1)C(C)C
STK850118
Synonyms: ethyl(7-hydroxy-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
Smiles: CCOC(=O)Cc1c(C)nc2n(c1O)nc(c2c1ccccc1)C
STK584319
Synonyms: 6-(butan-2-yl)-1-(2,3-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCC(N1CNc2c(C1)c(=O)nc(n2c1cccc(c1C)C)O)C
STK584323
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)Br
STK584326
Synonyms: 4-(3-ethoxy-4-hydroxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK850121
Synonyms: 1-benzyl-9-methyl-4-oxo-N-(2-phenylethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)NCCc1ccccc1
STK850122
Synonyms: 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
Smiles: NC(=O)c1cccnc1c1nc2c(s1)cccc2
STK850124
Synonyms: 1,7,8-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1cn2c(n1C)nc1c2c(=O)[nH]c(=O)n1C
STK850125
Synonyms: 8-[(dimethylammonio)methyl]-3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)Oc1cc(C)cc(c1)C)C(F)(F)F)C
STK584333
Synonyms: 5-tert-butyl-2-methyl-N-(3-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cccc(c1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C
STK584334
Synonyms: (1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
Smiles: CCOc1cc(ccc1O)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)Cc1ccccc1F
STK584336
Synonyms: N-(3-methyl-1-oxo-1-{[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino}butan-2-yl)benzamide
Smiles: CC(C(C(=O)NCCc1nnc2n1cccc2)NC(=O)c1ccccc1)C
STK584337
Synonyms: 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylicacid
Smiles: OC(=O)c1cnc2c(c1O)ccc(c2)C(F)(F)F
STK850129
Synonyms: 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(4-phenylpiperazin-1-yl)pyrimidin-4-ol
Smiles: Oc1cc(CSc2nnc(s2)C)nc(n1)N1CCN(CC1)c1ccccc1
STK584340
Synonyms: N-{4-[benzyl(methyl)sulfamoyl]phenyl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C)O
STK584342
Synonyms: 2-[(2E)-1,3-benzoxazol-2(3H)-ylideneamino]-4-(4-fluorophenyl)-6-methylpyrimidine-5-carbonitrile
Smiles: N#Cc1c(C)nc(nc1c1ccc(cc1)F)/N=c\1/oc2c([nH]1)cccc2
STK584343
Synonyms: 4-imino-9,10-dimethoxy-2-(4-methylphenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc(OC)c(c1)OC)c1ccc(cc1)C
STK584344
Synonyms: 5-(2-hydroxy-3,4-dimethylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
Smiles: CC(Cc1nnc(s1)NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C)C
STK584347
Synonyms: ethyl5-hydroxy-2-methyl-7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1C(=Nc2n(C1c1ccccc1)nc(n2)C)O
STK584350
Synonyms: 4-[3-(3,5-dimethoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: COc1cc(OC)cc(c1)c1n[nH]c(=S)n1c1ccc(cc1)C(=O)O
STK584352
Synonyms: N-[(1-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-4-phenylpiperidin-4-yl)carbonyl]-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1)C
STK850131
Synonyms: N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C
STK850134
Synonyms: 3-(4-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(C)c(c2O)C
STK584358
Synonyms: 5-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3-ol
Smiles: Brc1ccc(c(c1)/C=N/Nc1nc(O)nnc1C)O
STK850135
Synonyms: methyl[7-hydroxy-5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)c1ccc(cc1)C
STK584362
Synonyms: 3-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
Smiles: O=C(CCN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)NCCc1c[nH]cn1
STK584366
Synonyms: 1-[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]-3-(2-methoxyphenyl)guanidine
Smiles: COc1ccc(cc1)c1cc(O)nc(n1)NC(=N)Nc1ccccc1OC
STK584367
Synonyms: 6-chloro-2-[(3-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1cccc(c1)CNc1nc2n(n1)c(O)c(c(n2)C)Cl
STK584368
Synonyms: (2E)-1-(pyridin-4-yl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: O=C(c1ccncc1)/C=C\1/NCCc2c1cc1OCCCOc1c2
STK584375
Synonyms: (5S)-5-(2-methylpropyl)-3-[2-(morpholin-4-yl)ethyl]imidazolidine-2,4-dione
Smiles: CC(C[C@@H]1NC(=O)N(C1=O)CCN1CCOCC1)C
STK584376
Synonyms: (5s,7s)-2-(5-bromo-2-ethoxyphenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CCOc1ccc(cc1C1N2C[C@]3(CN1C[C@@](C2)(C3=O)CC)CC)Br
STK584380
Synonyms: 2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1[nH]nc(c1c1ccc(cc1)Cl)C(F)(F)F
STK584381
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
Smiles: Brc1cccc(c1)CN(C(=O)c1oc2c(c1C)cccc2)C1CCS(=O)(=O)C1
STK850138
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NCCC(C)C
STK584386
Synonyms: 2,5-dimethyl-3-phenyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: C=CCc1c(C)nc2n(c1O)nc(c2c1ccccc1)C
STK584388
Synonyms: 3-methyl-N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
Smiles: CSCCC(c1nnc2n1cccc2)NC(=O)c1sccc1C
STK850139
Synonyms: 1,3,7-trimethyl-8-(tetrahydrofuran-2-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc1n2cc(n1CC1CCCO1)C
STK584395
Synonyms: 1-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1
STK584396
Synonyms: 1-(4-methoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK584397
Synonyms: 3-{4-[(furan-2-ylmethyl)amino]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}propan-1-ol
Smiles: OCCCn1c(C)c(c2c1ncnc2NCc1ccco1)C
STK584398
Synonyms: methyl3-{[(5-chlorothiophen-2-yl)sulfonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(s1)Cl)cccc2
STK850140
Synonyms: (2Z)-2-(2-methoxybenzylidene)-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one
Smiles: COc1ccccc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)C
STK584400
Synonyms: N-(butan-2-yl)-5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCC(Nc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C)C
STK584411
Synonyms: 8-[(1E)-3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl]-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)/C=C/C(=O)c2c(O)n(C)c(=O)n(c2=O)C)C(=O)N(C)C(=O)N(C1=O)C
STK584414
Synonyms: 4-({[(5Z)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccc(cc2)F)/C1=O)Nc1ccc(c(c1)O)C(=O)O
STK584420
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-4-fluorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1c(C)nc(nc1c1ccc(cc1O)OCc1ccc(cc1Cl)F)N
STK584424
Synonyms: 5-({[(5Z)-5-(4-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccc(cc2)Cl)/C1=O)Nc1ccc(c(c1)C(=O)O)O
STK584425
Synonyms: dimethyl7-[4-(benzyloxy)phenyl]-2-oxo-3,7-dihydro-2H-thiopyrano[2,3-d][1,3]thiazole-5,6-dicarboxylate
Smiles: COC(=O)C1=C(Sc2c(C1c1ccc(cc1)OCc1ccccc1)sc(=O)[nH]2)C(=O)OC
STK584429
Synonyms: (4Z)-2-(2-bromophenyl)-4-(3,4-dimethoxybenzylidene)-4H-imidazol-5-ol
Smiles: COc1cc(ccc1OC)/C=C/1\N=C(N=C1O)c1ccccc1Br
STK584430
Synonyms: 1',2,3',4-tetramethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CC1OC(C)C2N(C1)c1ccccc1CC12C(=O)N(C)C(=O)N(C1=O)C
STK584436
Synonyms: N-(4-bromophenyl)-2-{(2Z)-4-hydroxy-2-[(2Z)-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CC1S/C(=N\N=C/2\CC3C(C2(C)CC3)(C)C)/N=C1O
STK850149
Synonyms: N-(4-methoxyphenyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: COc1ccc(cc1)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK584439
Synonyms: 2-methoxy-6-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
Smiles: COc1cccc(c1O)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1
STK584442
Synonyms: 7-chloro-1-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK584458
Synonyms: 2-(furan-2-yl)-8-methoxy-3-phenyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)c1ccco1)c1ccccc1
STK584459
Synonyms: 2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(4-sulfamoylbenzyl)acetamide
Smiles: CCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc1ccc(cc1)S(=O)(=O)N
STK584461
Synonyms: 2,12-di(furan-2-yl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccco1
STK584462
Synonyms: 2-methyl-N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]butanamide
Smiles: CCC(C(=O)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C)C
STK584467
Synonyms: (1-ethyl-5-methoxy-2-methyl-1H-indol-3-yl)[4-(4-fluorophenyl)piperazin-1-yl]methanone
Smiles: COc1ccc2c(c1)c(C(=O)N1CCN(CC1)c1ccc(cc1)F)c(n2CC)C
STK850154
Synonyms: 2-[(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)methyl]quinazolin-4-ol
Smiles: Oc1nc(CSc2[nH]c3c(n2)cccn3)nc2c1cccc2
STK850156
Synonyms: 7-(2-ethyl-1H-imidazol-1-yl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1nc2c(cnn2c(c1)n1ccnc1CC)c1ccccc1
STK584485
Synonyms: methylN-{[4-(trifluoromethoxy)phenyl]carbamoyl}-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)Nc1ccc(cc1)OC(F)(F)F
STK584488
Synonyms: 2-ethyl-6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: OCCc1c(C)nc2n(c1O)nc(n2)CC
STK584490
Synonyms: (5s,7s)-2-[4-(benzyloxy)phenyl]-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1ccc(cc1)OCc1ccccc1)CC
STK584493
Synonyms: methylN-[(2,5-dichlorophenyl)carbamoyl]-D-methioninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)CCSC
STK584496
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-(3-methyl-4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: Clc1ccccc1COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C
STK850161
Synonyms: 6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2-amine
Smiles: Nc1nc2c(s1)cc(cc2)S(=O)(=O)N1CCCC1
STK850162
Synonyms: 1-(3-methoxypropyl)-9-methyl-N-(4-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1ccc(cc1)C
STK584507
Synonyms: 2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)c(C)cc(c1)C
STK850163
Synonyms: 8-methoxy-3-phenyl-2-(propan-2-yl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)C(C)C)c1ccccc1
STK584510
Synonyms: 3-butyl-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-4(3H)-one
Smiles: CCCCn1cnc2c(c1=O)oc1c2cc2c(n1)CCCC2
STK584514
Synonyms: 2-{[5,6-di(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1
STK584516
Synonyms: 6-ethyl-4-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(CC)c(c2)[O-]
STK584517
Synonyms: 4-chloro-5-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]pyridazin-3-ol
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/Nc1cnnc(c1Cl)O
STK584518
Synonyms: (6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)(3-methyl-4-nitrophenyl)methanone
Smiles: COc1cc2CCN(C(=C)c2cc1OC)C(=O)c1ccc(c(c1)C)[N+](=O)[O-]
STK850167
Synonyms: 5-methyl-3-phenyl-6-(prop-2-en-1-yl)-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: C=CCc1c(C)nc2n(c1Nc1ccncc1)ncc2c1ccccc1
STK850168
Synonyms: 3-(4-methoxyphenyl)-7-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: COc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccccc1C
STK584525
Synonyms: 4-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)n1c(=S)[nH]nc1c1ccn[nH]1
STK584528
Synonyms: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc1c(c2)CCC1
STK584530
Synonyms: tert-butyl(2-{5-[(2-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}ethyl)carbamate
Smiles: O=C(OC(C)(C)C)NCCc1nnc(o1)S(=O)(=O)Cc1ccccc1C
STK584531
Synonyms: 1-{3-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}piperidine-2-carboxylicacid
Smiles: OC(=O)C1CCCCN1C(=O)CCN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O
STK584537
Synonyms: 3-(2-methoxyethyl)-10-methyl-2-(propan-2-yl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)C(C)C
STK584538
Synonyms: 5-[(4-chlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)Cl
STK850169
Synonyms: 5-(4-chlorophenyl)-2-(ethylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCSc1nn2c(n1)nc(cc2O)c1ccc(cc1)Cl
STK584540
Synonyms: 3-(1H-benzimidazol-2-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Smiles: O=C(N1CCc2c(C1)cccc2)CCc1nc2c([nH]1)cccc2
STK584543
Synonyms: 5-hydroxy-2-({[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=S)S/C(=C/c2cccs2)/C1=O
STK584544
Synonyms: (4E)-2-(2,5-dichlorophenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1ccc(c(c1)N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2)Cl
STK584545
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)COc1ccc2c(c1)oc(=O)cc2
STK584548
Synonyms: (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-4-hydroxy-1,5-dihydro-2H-imidazol-2-one
Smiles: CCOc1cc(/C=C/2\NC(=O)N=C2O)cc(c1O)[N+](=O)[O-]
STK584549
Synonyms: 4'-amino-9',10'-dimethoxy-5-methyl-2-oxo-1,2,6',7'-tetrahydrospiro[indole-3,2'-pyrido[2,1-a]isoquinoline]-3'-carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc(C)cc1)cc(c(c3)OC)OC
STK584550
Synonyms: (6-methoxy-1H-indol-2-yl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c([nH]1)cc(cc2)OC
STK584551
Synonyms: [(5S)-3-(4-chlorophenyl)-5-(cycloheptylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: O=C([C@@]1(ON=C(C1)c1ccc(cc1)Cl)CC(=O)O)NC1CCCCCC1
STK584555
Synonyms: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-(2-chloro-6-fluorobenzyl)-1,3,4-oxadiazole-2-carboxamide
Smiles: O=C(c1nnc(o1)Cc1c(F)cccc1Cl)NCCCN1CCN(CC1)Cc1ccccc1
STK584556
Synonyms: (10aS)-2-[2-(trifluoromethyl)phenyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: O=C1N2Cc3ccccc3C[C@H]2C(=O)N1c1ccccc1C(F)(F)F
STK584557
Synonyms: 6-amino-5-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-1-methylpyrimidin-2(1H)-one
Smiles: Cn1c(=O)nc(c(c1N)Sc1nc2c([nH]1)cccc2)O
STK584558
Synonyms: (3R,3'S,5'R)-5'-benzyl-7-chloro-N-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1Cl)Cc1ccccc1
STK584563
Synonyms: 2-[(naphthalen-1-yloxy)methyl]-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc(nn2cn1)COc1cccc2c1cccc2
STK584565
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)NCc1ccc2c(c1)OCO2
STK584567
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F
STK584572
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(COc1ccccc1)O)c(O)nc(=O)n2C
STK584575
Synonyms: 6-[3-(2-methoxyphenoxy)propyl]-7,9-dimethyl-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccccc1OCCCn1c2nc3ccccc3nc2c2c1c(C)cc(c2)C
STK850172
Synonyms: 5-(4-butoxy-3-hydroxybutyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCCCOCC(CCc1n[nH]c(=S)n1CC=C)O
STK584577
Synonyms: 7-[3-(dimethylamino)propyl]-N-(4-methoxyphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: COc1ccc(cc1)Nc1ncnc2c1c(C)c(n2CCCN(C)C)C
STK584579
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(C)c(n2)N1CCC(CC1)Cc1ccccc1)C
STK584582
Synonyms: ethyl1-amino-8,8-dimethyl-5-(propan-2-yl)-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridine-2-carboxylate
Smiles: CCOC(=O)c1oc2c(c1N)c1CC(C)(C)OCc1c(n2)C(C)C
STK584585
Synonyms: N-(2,2-diphenylethyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCC(c1ccccc1)c1ccccc1
STK584587
Synonyms: 5-[1-(chloroacetyl)-5-phenylpyrazolidin-3-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: ClCC(=O)N1NC(=C2C(=O)N(C)C(=O)N(C2=O)C)CC1c1ccccc1
STK584591
Synonyms: 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H,7H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone
Smiles: CC1CCN2C(C1)C1(Cc3c2nc2ccccn2c3=O)C(=O)N(C)C(=O)N(C1=O)C
STK850174
Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)-5-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)c1cc(=O)n([nH]1)c1nc(C)cc(n1)C
STK584597
Synonyms: 2-(3-chlorophenoxy)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Oc2cccc(c2)Cl)nc1=O
STK584599
Synonyms: ethyl2-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4-(propan-2-yl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C2=O)C)scc1C(C)C
STK584600
Synonyms: {[3-(1H-indol-3-yl)propanoyl]amino}(phenyl)aceticacid
Smiles: O=C(NC(c1ccccc1)C(=O)O)CCc1c[nH]c2c1cccc2
STK584601
Synonyms: 2-({3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=S)S/C(=C\c2ccccc2)/C1=O
STK584606
Synonyms: 3-[4-(piperidin-1-ylsulfonyl)phenyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
Smiles: O=C(CCc1ccc(cc1)S(=O)(=O)N1CCCCC1)NCCc1nnc2n1cccc2
STK584608
Synonyms: N'-{(E)-[4-hydroxy-1-(4-methoxybenzyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=NC(=O)N(C1=O)Cc1ccc(cc1)OC)O
STK584614
Synonyms: 6-methyl-9-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2ccccc2)nc(n3)C(F)(F)F)C1)O
STK584616
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)C)Cc1cccnc1
STK584617
Synonyms: ethyl2-(4-ethylpiperazin-1-yl)-6-hydroxy-4-(4-methoxyphenyl)-4,5-dihydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=NC(=NC1c1ccc(cc1)OC)N1CCN(CC1)CC)O
STK584620
Synonyms: {4-[3-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}aceticacid
Smiles: OC(=O)Cc1ccc(cc1)n1c(=S)[nH]nc1c1n(C)nc(c1Br)C
STK584621
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-N'-[(E)-thiophen-2-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccs1
STK584622
Synonyms: 4-(3-bromophenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Brc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK584623
Synonyms: N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCCc1ccc(cc1)Cl)C
STK584627
Synonyms: N-(3,4-difluorophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CN1CCc2c(C1)cc1c(c2)OCCCO1
STK850179
Synonyms: 2-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C(C)C)Cc1cccnc1
STK584630
Synonyms: 2-chloro-N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2Cl)n2c(n1)nc(n2)c1ccccc1
STK584631
Synonyms: N-(3-chlorophenyl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1cccc(c1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C
STK584636
Synonyms: 3-benzyl-5-(4-chlorophenyl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: Clc1ccc(cc1)C1c2ccc(cc2Oc2c1c(=N)n(cn2)Cc1ccccc1)O
STK584637
Synonyms: N-[(4-chlorobenzyl)carbamoyl]-D-alanine
Smiles: C[C@H](C(=O)O)NC(=O)NCc1ccc(cc1)Cl
STK584640
Synonyms: 2-(4-fluorophenyl)-10-methyl-3-propylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)F
STK584642
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: Clc1cccc(c1)COc1ccc(c(c1)O)c1[nH]ncc1c1ccccc1
STK584647
Synonyms: N-(4-ethoxyphenyl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCOc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C
STK584648
Synonyms: 5-(2-hydroxy-5-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)c1cc(C)ccc1O
STK584651
Synonyms: N-(4-fluorobenzyl)-3-(furan-2-yl)-6-methylheptan-1-amine
Smiles: CC(CCC(c1ccco1)CCNCc1ccc(cc1)F)C
STK584653
Synonyms: N-[4-(diethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxybenzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(CC)CC
STK850184
Synonyms: 2-[(4-ethoxyphenyl)amino]-6-methyl-5-pentylpyrimidin-4-ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1ccc(cc1)OCC
STK584660
Synonyms: N'-[(E)-(2-hydroxy-7-methoxyquinolin-3-yl)methylidene]pyridine-4-carbohydrazide
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)c1ccncc1)O
STK584661
Synonyms: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-2-ylmethyl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NCc1ccccn1
STK584667
Synonyms: 4-({[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccco2)/C1=O)Nc1ccc(c(c1)O)C(=O)O
STK584673
Synonyms: (3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)NC1CCCC1
STK584674
Synonyms: N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C
STK584682
Synonyms: 8-(3-chlorophenyl)-10-methyl-2-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1cccnc1)nc(n3)c1ccccc1)C
STK584685
Synonyms: N-[5-hydroxy-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1C
STK584686
Synonyms: N-(3-bromobenzyl)-2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccccc1Cl)C1CCS(=O)(=O)C1
STK584687
Synonyms: N-{[4-(morpholin-4-ylmethyl)phenyl]carbamoyl}-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)CN1CCOCC1
STK584689
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: C=Cc1ccc(cc1)COc1ccc(c(c1)O)c1onc(c1c1ccccc1)C
STK850188
Synonyms: 7-(2-chlorophenyl)-2-(tetrahydrofuran-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nc(n1)C1CCCO1
STK850189
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]acetamide
Smiles: CC(=O)Nc1cc(nn1c1nc2c([nH]1)cccc2)C
STK584691
Synonyms: methyl2-({[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2nn(ccc2=O)c2cccc(c2)C)sc2c1CCCC2
STK584694
Synonyms: 5-{[4-(methylsulfanyl)benzyl]amino}-2-(morpholin-4-ium-4-yl)benzoate
Smiles: CSc1ccc(cc1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1
STK850191
Synonyms: 5-methyl-7-(morpholin-4-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCOCC2)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F
STK584697
Synonyms: 2-(2-hydroxyphenyl)-12-(4-methoxyphenyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1ccccc1O
STK584706
Synonyms: 9-benzyl-5-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nc2sc3c(c2c2n1ncn2)CCN(C3)Cc1ccccc1
STK850193
Synonyms: 2-hydroxy-N-(4-methoxyphenyl)-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1CC(=NC2=C1C(=O)CCC2)O
STK584709
Synonyms: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-hydroxy-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(O)N(C(=O)/C/1=C/NCCN1CCNCC1)CCC1=CCCCC1
STK584711
Synonyms: (3a'S,6a'R)-3'-(2-methylpropyl)-5'-(2-phenylethyl)-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)CCc1ccccc1)C(=O)Nc1c2cccc1)C
STK584713
Synonyms: N-(4-cyanophenyl)-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide
Smiles: N#Cc1ccc(cc1)NC(=O)CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
STK584715
Synonyms: 4-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1
STK584721
Synonyms: 6-chloro-5-methyl-2-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: COc1cc(cc(c1OC)OC)c1nn2c([nH]1)nc(c(c2=O)Cl)C
STK584724
Synonyms: N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C)NC1CCCCC1
STK850198
Synonyms: N-(3,4-dichlorophenyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Clc1ccc(cc1Cl)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK850199
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NC1CCS(=O)(=O)C1
STK850200
Synonyms: N-(diphenylmethyl)-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)NC(c1ccccc1)c1ccccc1
STK584729
Synonyms: N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)CCn1nnc2c(c1=O)cccc2
STK584734
Synonyms: 2-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1F
STK584735
Synonyms: (5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-3-(4-fluorobenzyl)-2-hydroxy-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1ccc2c(c1)c(/C=C/1\N=C(N(C1=O)Cc1ccc(cc1)F)O)c(cc2)OC
STK584736
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
Smiles: CSc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(C)cc(c1O)C
STK584738
Synonyms: (E)-1-(4-chlorophenyl)-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: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccc(cc1)Cl
STK584740
Synonyms: N-(3-chloro-4-methoxyphenyl)-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1Cl)NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C
STK850202
Synonyms: 1-benzyl-9-methyl-2-[(4-methylpiperidin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: CC1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK584742
Synonyms: 5-methoxy-3-methyl-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NCC1CCCO1
STK584752
Synonyms: N-[(4-ethoxyphenyl)carbamoyl]-L-alanine
Smiles: CCOc1ccc(cc1)NC(=O)N[C@H](C(=O)O)C
STK584754
Synonyms: 4-{[(2Z)-3-[4-(diethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: CCN(c1ccc(cc1)N1/C(=N/C(=O)CCC(=O)O)/SC2C1CS(=O)(=O)C2)CC
STK850204
Synonyms: 3-(2-hydroxyphenyl)-4-(4-hydroxyphenyl)-5-(4-methoxybenzyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CN1C(=O)c2c(C1c1ccc(cc1)O)c([nH]n2)c1ccccc1O
STK584759
Synonyms: 3-[(2-methoxyethyl)amino]-7-methyl-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: COCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C2)C
STK584763
Synonyms: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc(cc(c1O)Br)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N
STK584764
Synonyms: 5,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine
Smiles: Cc1oc2c(c1C)c(ncn2)Nc1ccccc1
STK584772
Synonyms: 8-bromo[1,2,4]triazino[4,5-a]indol-1-ol
Smiles: Brc1ccc2c(c1)cc1n2cnnc1O
STK584775
Synonyms: 3-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Smiles: O=C(CCN1C(=S)S/C(=C\c2ccco2)/C1=O)NCCc1ccc(cc1)O
STK850209
Synonyms: 2-(phenoxymethyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)COc1ccccc1
STK584778
Synonyms: 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCOc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1ncn2
STK584779
Synonyms: 4-methyl-9-[4-(morpholin-4-ylmethyl)phenyl]-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1cc(C)c2c(o1)c1CN(COc1cc2)c1ccc(cc1)CN1CCOCC1
STK584783
Synonyms: 2-[7-(2,5-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)c1cc(C)ccc1C
STL036534
Synonyms: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-N-[(2Z)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]butanamide
Smiles: CC(C(N1C(=O)c2c(C1=O)cccc2)C(=O)/N=c/1\sc(c([nH]1)c1ccc(cc1)C)C)C
STK850211
Synonyms: 7-[(2-chlorobenzyl)oxy]-3-(2-methoxyphenoxy)-4H-chromen-4-one
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1Cl
STK584788
Synonyms: 2-[(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCc1cccnc1)C
STK850212
Synonyms: 1-benzyl-N-(2-methoxyethyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK584792
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(6-methylpyridin-2-yl)acetamide
Smiles: O=C(Nc1cccc(n1)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1
STK850214
Synonyms: N-[1-methyl-4-oxo-3-(thiophen-2-yl)-1,4-dihydroquinolin-2-yl]propanamide
Smiles: CCC(=O)Nc1c(c2cccs2)c(=O)c2c(n1C)cccc2
STK584794
Synonyms: N-(2-chlorophenyl)-4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1c(O)nc2c(c1=O)cccc2)Nc1ccccc1Cl
STK584795
Synonyms: 7-(1H-benzimidazol-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(C)cc2n1cnc2c1cccc2
STK584796
Synonyms: N-[1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nn1cc2c(c1c1ccc(cc1)C)c(=O)n(c(=O)n2C)C
STK584797
Synonyms: 4-[(2,2-dimethoxyethyl)sulfanyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: COC(CSc1ncnc2c1oc1c2cc2c(n1)CC(OC2)(C)C)OC
STK584799
Synonyms: (2R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanamide
Smiles: OC[C@H](C(C)C)NC(=O)[C@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1
STK584800
Synonyms: 7-(2,4-dimethylphenyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thione
Smiles: Cc1ccc(c(c1)C)n1ncc2c1ncn1c2n[nH]c1=S
STK850216
Synonyms: 3-(2,4-dimethoxyphenyl)-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(OC)ccc1OC
STK584802
Synonyms: (2Z)-N-(3-chloro-2-methylphenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanethioamide
Smiles: COc1cc2/C(=C/C(=S)Nc3cccc(c3C)Cl)/NCCc2cc1OC
STK584805
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1H-1,2,3-triazole-4-carboxylicacid
Smiles: OC(=O)c1nnn(c1CN1CCc2c(C1)cccc2)c1nonc1N
STK584806
Synonyms: methyl4-[3,9-dioxo-2-(pyridin-4-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(Cc2ccncc2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK584807
Synonyms: N-(3,4-dimethylphenyl)-2,2-dimethyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: O=C(C(C)(C)C)N(c1ccc(c(c1)C)C)Cc1cc2ccccc2[nH]c1=O
STK584810
Synonyms: 5-methyl-7-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)c2cccc(n2)C)n2c(n1)nc(n2)C(F)(F)F
STK584814
Synonyms: 6-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-phenyl-1,3,5-triazine-2,4-diamine
Smiles: COc1cc2CCN(C(c2cc1OC)C)Cc1nc(N)nc(n1)Nc1ccccc1
STK850220
Synonyms: 4-(morpholin-4-ylmethyl)-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one
Smiles: O=c1cc(CN2CCOCC2)c2c(o1)cc1c(c2)CCCC1
STK584817
Synonyms: (2E)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(2-phenylethyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)CC(O2)C)/C(=O)NCCc1ccccc1
STK584820
Synonyms: 3-butyl-5-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCCCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1)Cl)O
STK584821
Synonyms: 2-[(2-oxo-2H-chromen-7-yl)oxy]-N-(4-sulfamoylbenzyl)acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)cc2)NCc1ccc(cc1)S(=O)(=O)N
STK584823
Synonyms: N-[(4-butylphenyl)carbamoyl]-L-methionine
Smiles: CCCCc1ccc(cc1)NC(=O)N[C@H](C(=O)O)CCSC
STK584825
Synonyms: methyl[4,7-dimethyl-2-oxo-5-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]acetate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)c(OCc1nnn[nH]1)cc(c2)C
STK584829
Synonyms: 6-benzyl-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Smiles: N#Cc1cnn2c1nc(C)c(c2O)Cc1ccccc1
STK850221
Synonyms: ethyl1-{[1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl]carbonyl}piperidine-4-carboxylate
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)N1CCC(CC1)C(=O)OCC
STK584834
Synonyms: 1-(3-chlorophenyl)-2-(3-hydroxypropyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)Cl)c(=O)c1c(o2)cccc1
STK584839
Synonyms: 1-tert-butyl-2-hydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-4,6(1H)-dione
Smiles: OC1=NC(=O)C2(C(=O)N1C(C)(C)C)Cc1ccccc1N1C2CCC1
STK584842
Synonyms: (5E)-2-hydroxy-4-methyl-6-oxo-5-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)hydrazinylidene]-5,6-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=N\Nc2ccc3c(c2)COC3=O)/C(=O)N=C1O
STK850223
Synonyms: (2-methoxyphenyl){4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}methanone
Smiles: COc1ccccc1C(=O)N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N+](=O)[O-]
STK584847
Synonyms: N-(3,4-dimethoxybenzyl)-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(c(c1)OC)OC)CCCN1CCOCC1
STK850226
Synonyms: 5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Oc1cccc(c1)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK850227
Synonyms: N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Clc1cc(ccc1F)NC(=O)c1cc2c(n1C)nc1n(c2=O)cccc1
STK584855
Synonyms: 2-hydroxy-5-({2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoicacid
Smiles: O=C(C(N1C(=S)S/C(=C\c2cccs2)/C1=O)C)Nc1ccc(c(c1)C(=O)O)O
STK584857
Synonyms: N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(Nc2ccc(c(c2)Cl)Cl)n2c(n1)c(cn2)c1ccccc1
STK584870
Synonyms: N-(3-methoxypropyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: COCCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCCC2
STK584872
Synonyms: 1-[10-(furan-2-yl)-2-(4-methoxybenzyl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C
STK584874
Synonyms: 5-tert-butyl-7-[4-(4-ethoxybenzyl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CCOc1ccc(cc1)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK584876
Synonyms: N-[3-cyano-1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-3-(dimethylsulfamoyl)benzamide
Smiles: COCCn1c2nc3ccccc3nc2c(c1NC(=O)c1cccc(c1)S(=O)(=O)N(C)C)C#N
STK584877
Synonyms: 1-[3-(dimethylamino)propyl]-3-(furan-2-ylmethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: CN(CCCn1c(=O)n(Cc2ccco2)c(=O)c2c1sc1c2CCCCC1)C
STK584878
Synonyms: N,N-dimethyl-N'-(2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-yl)ethane-1,2-diamine
Smiles: CN(CCNc1c2CCCc2nc2n1nc(c2c1ccccc1)C)C
STK584879
Synonyms: N-butyl-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: CCCCN(C(=O)c1cc2c([nH]1)cc(cc2)OC)Cc1cccs1
STK584884
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(c(c1)C(F)(F)F)Cl
STK584886
Synonyms: N-[1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-1-phenyl-1H-tetrazol-5-amine
Smiles: Clc1ccc(cc1)n1nc(cc1Nc1nnnn1c1ccccc1)C
STK584887
Synonyms: 4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-chromen-2-one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1c(C)cc(c2)C
STK584889
Synonyms: 3-(4-chlorophenyl)-7-ethyl-1-[2-(morpholin-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: CCN1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CCN1CCOCC1)c1ccc(cc1)Cl
STK584890
Synonyms: N-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: COc1cc(CCN2/C(=N/C(=O)C(C)C)/SC3C2CS(=O)(=O)C3)ccc1OC
STK584894
Synonyms: 4-amino-N-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1)n1c(=S)sc(c1N)C(=O)Nc1c(Cl)cccc1Cl
STK850232
Synonyms: 2-cyclohexyl-8-methoxy-3-(3-methoxypropyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)C1CCCCC1
STK584896
Synonyms: 2-[(2E)-(2,4,5-trimethoxybenzylidene)hydrazinylidene]-2,3-dihydro-1H-benzimidazole
Smiles: COc1cc(OC)c(cc1/C=N/N=c/1\[nH]c2c([nH]1)cccc2)OC
STK850234
Synonyms: N-[(2Z)-4-(4-ethoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-4-(2-methylphenoxy)butanamide
Smiles: CCOc1ccc(cc1)c1cs/c(=N\C(=O)CCCOc2ccccc2C)/[nH]1
STK584900
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1cccc(c1)Cl
STK584902
Synonyms: 7'-[(E)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCCN1C(=NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S
STK584903
Synonyms: 5-(5-ethyl-2-hydroxyphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
Smiles: CCc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1cccnc1)O
STK584906
Synonyms: 2-[2-amino-5-(2-bromophenoxy)pyrimidin-4-yl]-5-[(3,4-dichlorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)Oc1ccccc1Br
STK584907
Synonyms: ethyl(3-cyano-7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(C#N)c(n2)C
STK584909
Synonyms: 4-[(4-fluorobenzyl)sulfanyl]-2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCc2ccc(cc2)F)c2c(n1)sc1c2CCC1
STK584912
Synonyms: 12-(furan-2-yl)-2-(2-hydroxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccccc1O
STK584914
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NC(C)C)C
STK584919
Synonyms: 1-(5-methyl-1-{2-methyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)ethanone
Smiles: Cc1nc(cc(n1)n1ncc(c1C)C(=O)C)N(c1ccccc1)C
STK584921
Synonyms: {2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-3(2H)-yl}acetonitrile
Smiles: N#CCN1C(CN2CCc3c(C2)cc(c(c3)OC)OC)Nc2c(C1=O)cc(c(c2)OC)OC
STK584924
Synonyms: 7-(3-chloro-2-hydroxypropyl)-6-hydroxy-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: ClCC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1)O
STK584925
Synonyms: (3Z)-1-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione
Smiles: O=C1C/C(=C/c2cccnc2)/C(=O)N1c1ccc(c(c1)Cl)F
STK584933
Synonyms: 1-(3-ethoxy-4-hydroxyphenyl)-2-(3-hydroxypropyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c(=O)c1c(o2)c(C)cc(c1)C
STK850240
Synonyms: 2-methoxyethyl5-{[(2-fluorophenyl)carbonyl]oxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)c1ccccc1F)C
STK584935
Synonyms: methyl4-(acridin-9-ylamino)benzoate
Smiles: COC(=O)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
STK584938
Synonyms: ethyl10-(furan-2-yl)-2-(2-hydroxyphenyl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1ccccc1O
STK584948
Synonyms: 3-methyl-N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]butanamide
Smiles: CC(CC(=O)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C)C
STK850244
Synonyms: 2'-amino-1-methyl-2,5'-dioxo-1'-(pyridin-3-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Smiles: N#CC1=C(N)N(c2cccnc2)C2=C(C31C(=O)N(c1c3cccc1)C)C(=O)CCC2
STK584954
Synonyms: (2E)-3-(2-chlorophenyl)-N-[(2Z)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]prop-2-enamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N/C(=O)/C=C/c2ccccc2Cl)/s1
STK584959
Synonyms: 10-(3-fluorophenyl)-9-hydroxy-7,7-dimethyl-6,7,8,10-tetrahydro-11H-indeno[1,2-b]quinolin-11-one
Smiles: Fc1cccc(c1)C1C2=C(O)CC(CC2=NC2=C1C(=O)c1c2cccc1)(C)C
STK584967
Synonyms: 2-hydroxy-N'-[(2Z)-2-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)acetyl]benzohydrazide
Smiles: O=C(/C=C/1\SC(=O)N=C1O)NNC(=O)c1ccccc1O
STK584968
Synonyms: 6-(4-chlorophenyl)-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Clc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccs2)ncn3)C1)O
STK584969
Synonyms: N-({1-[(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]piperidin-4-yl}carbonyl)glycine
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)N1CCC(CC1)C(=O)NCC(=O)O
STK584970
Synonyms: 2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-4-ol
Smiles: Oc1nc(nc2c1CCCC2)N1CCOCC1
STK584972
Synonyms: 2-methoxyethyl5-{[(2,6-dimethoxyphenyl)carbonyl]oxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: COCCOC(=O)c1c2cc(ccc2n(c1C)C)OC(=O)c1c(OC)cccc1OC
STK584974
Synonyms: 1,3-dimethyl-10-(4-oxo-4H-chromen-3-yl)-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: O=c1n(C)c(=O)c2c(n1C)c1C(OCCn1c2c1ccccc1)c1coc2c(c1=O)cccc2
STK584976
Synonyms: 4-(4-ethylphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK584980
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(biphenyl-2-yl)acetamide
Smiles: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F
STK584985
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(4-bromobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)Br)N
STK850253
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
Smiles: COc1cc(CCNc2ncnc3c2cc(s3)C)ccc1OC
STK850254
Synonyms: 3-chloro-N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Clc1cccc(c1)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C
STK584991
Synonyms: 7-butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
STK850256
Synonyms: (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl4-chlorobenzenesulfonate
Smiles: Clc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)/C2=O
STK585000
Synonyms: N-[4-(3-methoxyphenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]furan-2-carboxamide
Smiles: COc1cccc(c1)c1c(=O)c(C)nn(c1NC(=O)c1ccco1)c1ccc(cc1)C
STK585001
Synonyms: 2-fluoro-N-[3-oxo-2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-2-yl]benzamide
Smiles: O=C(c1ccccc1F)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F
STK585002
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(2-ethoxyphenoxy)-4H-chromen-4-one
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1c(F)cccc1Cl
STK585007
Synonyms: 4-(2-chloro-5-methylphenoxy)[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: Cc1ccc(c(c1)Oc1nc2ccccc2n2c1nnc2)Cl
STK585009
Synonyms: 4-{(2E)-2-[(2-methyl-2H-chromen-3-yl)methylidene]hydrazinyl}benzoicacid
Smiles: CC1Oc2ccccc2C=C1/C=N/Nc1ccc(cc1)C(=O)O
STK585013
Synonyms: 6-ethyl-4-[(4-ethylpiperazin-1-yl)methyl]-2H-chromen-2-one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1cc(CC)cc2
STK585019
Synonyms: [4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetonitrile
Smiles: N#CCN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)c1ccccc1
STK585020
Synonyms: 3-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O
STK585023
Synonyms: (5Z)-3-(4-chlorophenyl)-5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-ylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(OC)ccc1C1NN/C(=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)Cl)O)/C1
STK850261
Synonyms: 3-(3,4-dimethoxyphenyl)-7-(1H-imidazol-1-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2n1cncc1
STK850262
Synonyms: methyl2-[({4-[3-(trifluoromethyl)-4,5-dihydro-1H-furo[2,3-g]indazol-1-yl]phenyl}carbonyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=O)c1ccc(cc1)n1nc(c2c1c1ccoc1CC2)C(F)(F)F
STK585032
Synonyms: 1',3'-dimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1ccccc1N1C2COCC1
STK850263
Synonyms: 2-methyl-N,3-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2Nc2ccccc2)CCC1
STK585035
Synonyms: 9-methyl-2-(phenoxymethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccccc1
STK585039
Synonyms: 7-chloro-1-(3-hydroxyphenyl)-2-(4-methoxybenzyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK585040
Synonyms: 2-(1,3-benzoxazol-2-ylamino)-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: COc1ccc(cc1)C1N=C(Nc2nc3c(o2)cccc3)N=C2C1=C(O)CC(C2)(C)C
STK585043
Synonyms: 8-ethoxy-N-[3-(propan-2-yloxy)propyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCCCOC(C)C
STK585044
Synonyms: 4-{[(4-oxoquinazolin-3(4H)-yl)acetyl]amino}butanoicacid
Smiles: O=C(Cn1cnc2c(c1=O)cccc2)NCCCC(=O)O
STK585047
Synonyms: 5-(2-hydroxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc2c(c1)sc(n2)NC(=O)c1n[nH]c(c1)c1ccccc1O
STK585049
Synonyms: N-{(2S)-1-[(3-methoxybenzyl)amino]-1-oxo-3-phenylpropan-2-yl}-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
Smiles: COc1cccc(c1)CNC(=O)[C@@H](NC(=O)N1CCn2c1nc1c2cccc1)Cc1ccccc1
STK585050
Synonyms: 1-{[(3R)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonyl}piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
STK585061
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1
STK585062
Synonyms: ethyl4-(furan-2-yl)-6-hydroxy-2-(4-methylpiperazin-1-yl)-4,5-dihydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=NC(=NC1c1ccco1)N1CCN(CC1)C)O
STK585063
Synonyms: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1H-indol-3-yl)-2-methylpropan-1-one
Smiles: CC(C(=O)N1CCN(CC1)c1ccccc1F)Cc1c[nH]c2c1cccc2
STK585065
Synonyms: 2,5-dichloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)NCCc1nnc2n1cccc2)Cl
STK850269
Synonyms: 5-tert-butyl-3-(4-methylphenyl)-7-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(cc2N1CCCC1)C(C)(C)C
STK585068
Synonyms: N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCOc1ccc2c(c1)sc(n2)NC(=O)c1n[nH]c(c1)c1ccccc1O
STK850270
Synonyms: 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cn[nH]c1c1ccc(cc1O)OCC(=C)C
STK585069
Synonyms: {[(2Z)-2-(3,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(c(c1)Cl)Cl)/C2=O
STK585075
Synonyms: 3-(4-chlorophenyl)-7-(1H-imidazol-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2n1cncc1
STK585080
Synonyms: 5-[(2-ethoxybenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: CCOc1ccccc1CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1
STK585082
Synonyms: ethyl{1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)CCc1ccccc1OC)c1ccccc1)C(F)(F)F
STK585084
Synonyms: 1-(3-hydroxyphenyl)-5,7-dimethyl-2-(prop-2-en-1-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)c(C)cc(c1)C
STK585086
Synonyms: 6-fluoro-2-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
Smiles: Fc1ccc2c(c1)c(cc(n2)C)C(=O)Nc1nccs1
STK585087
Synonyms: 9-methyl-2-(2-methylphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1C
STK585089
Synonyms: 5-methyl-1-[3-(7-methyl-6H-indolo[2,3-b]quinoxalin-6-yl)propyl]-1H-indole-2,3-dione
Smiles: Cc1ccc2c(c1)C(=O)C(=O)N2CCCn1c2nc3ccccc3nc2c2c1c(C)ccc2
STK585093
Synonyms: N-[(3-methylphenyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1cccc(c1)C)C
STK850274
Synonyms: 2-(1,3-benzothiazol-2-yl)-N-(propan-2-yl)pyridine-3-carboxamide
Smiles: CC(NC(=O)c1cccnc1c1nc2c(s1)cccc2)C
STK850275
Synonyms: 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccc(cc1)C
STK585098
Synonyms: 2-hydroxy-N'-[(E)-quinoxalin-6-ylmethylidene]benzohydrazide
Smiles: O=C(c1ccccc1O)N/N=C/c1ccc2c(c1)nccn2
STK585101
Synonyms: N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N(Cc1ccccc1)C
STK850277
Synonyms: N-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccncc1
STK585106
Synonyms: 5-{[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-5-oxopentanoicacid
Smiles: CCn1[nH]/c(=N\C(=O)CCCC(=O)O)/c2c1nc1c(C)cccc1c2
STK585108
Synonyms: (E)-1-(2-chlorophenyl)-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: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccccc1Cl
STK585110
Synonyms: N-benzyl-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCc2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C)C
STK585112
Synonyms: 3,4-diethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
Smiles: CCOc1cc(ccc1OCC)C(=O)NCCc1nnc2n1cccc2
STK585113
Synonyms: 5-{[3-(benzyloxy)benzyl]amino}-2-(morpholin-4-ium-4-yl)benzoate
Smiles: [O-]C(=O)c1cc(NCc2cccc(c2)OCc2ccccc2)ccc1[NH+]1CCOCC1
STK585114
Synonyms: 11-(2-methoxyphenyl)-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: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccncc1)c1ccccc1
STK585115
Synonyms: 3-[(4-hydroxyquinazolin-2-yl)sulfanyl]propanoicacid
Smiles: OC(=O)CCSc1nc(O)c2c(n1)cccc2
STK585116
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-(4-hydroxy-3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C
STK850279
Synonyms: methyl4-({7-[(4-fluorobenzyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)F
STK850280
Synonyms: 8-(2-chlorophenyl)-3-methyl-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)CC1c1ccccc1Cl)C
STK585123
Synonyms: N-[3-(dimethylamino)propyl]-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetamide
Smiles: CN(CCCNC(=O)COc1ccc2c(c1C)oc(=O)c1c2CCCC1)C
STK850282
Synonyms: (2Z)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-1-(2-methoxyphenyl)-2,5-dihydro-1H-imidazol-4-ol
Smiles: COc1ccccc1N1CC(=N/C/1=N\c1nc(C)cc(n1)C)O
STK585128
Synonyms: 5-[(2E)-2-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)hydrazinyl]-2-hydroxybenzoicacid
Smiles: N#CC1=C(C)/C(=N\Nc2ccc(c(c2)C(=O)O)O)/C(=O)N=C1O
STK585133
Synonyms: methyl4-{(3E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
STK850283
Synonyms: 5-tert-butyl-N-[2-(morpholin-4-yl)ethyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCCN2CCOCC2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK585135
Synonyms: 9-(3-hydroxypropyl)-4-phenyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: OCCCN1COc2c(C1)c1oc(=O)cc(c1cc2)c1ccccc1
STK585136
Synonyms: 1,3-dimethyl-5-[(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl]pyrimidine-2,4(1H,3H)-dione
Smiles: O=c1n(C)cc(c(=O)n1C)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1
STK585140
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-6-hydroxy-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Smiles: CN(CCNc1nc2c(n1Cc1ccc(cc1)C)c(O)nc(=O)n2C)C
STK850284
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide
Smiles: CCC(C(=O)Nc1nonc1c1ccc(c(c1)OC)OC)CC
STK585142
Synonyms: (3R)-2,2-dimethyl-5-oxo-N-(1-phenylethyl)-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC(c1ccccc1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
STK585149
Synonyms: 7-(4-ethylpiperazin-1-yl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)CC)n2c(n1)c(c1ccccc1)c(n2)C
STK585150
Synonyms: N-tert-butyl-4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxamide
Smiles: COc1ccc(cc1)C1(CCOCC1)C(=O)NC(C)(C)C
STK585153
Synonyms: (5Z)-4-hydroxy-5-{[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}-1,3-thiazole-2(5H)-thione
Smiles: COc1ccc(cc1)c1nc2n(c1/C=C/1\SC(=S)N=C1O)ccs2
STK585155
Synonyms: 4-chloro-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]phenylalanyl-N-(3-carboxypropyl)-D-valinamide
Smiles: OC(=O)CCCNC(=O)[C@@H](C(C)C)NC(=O)C(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)Cc1ccc(cc1)Cl
STK850287
Synonyms: 1-(3-methoxypropyl)-9-methyl-2-(morpholin-4-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCOCC1
STK585159
Synonyms: 6-[2-(4-tert-butylphenoxy)ethyl]-9-methoxy-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(cc1)C(C)(C)C
STK585166
Synonyms: (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1ccc(c(c1)C(F)(F)F)Cl
STK850289
Synonyms: 1-(4-fluorophenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1
STK850291
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-3,6-dimethyl-1-benzofuran-2-carboxamide
Smiles: CCc1ccc(cc1)CN(C(=O)c1oc2c(c1C)ccc(c2)C)C1CCS(=O)(=O)C1
STK585172
Synonyms: 2-methyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)CC(=C)C)n2c(n1)c(c1ccccc1)c(n2)C
STK585174
Synonyms: N-(1H-benzimidazol-2-yl)-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1nc2c([nH]1)cccc2)CCCCCn1nnc2c(c1=O)cccc2
STK585175
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-6-methylpyrimidin-4-ol
Smiles: Cc1nc(nc(c1Cc1ccccc1)O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK585177
Synonyms: 3,11-dimethyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: CC1CC(=C2C(=Nc3ccccc3N=C2C)C1)O
STK585178
Synonyms: 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
Smiles: CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)NCc1ccccn1)C
STK585179
Synonyms: 4-[5-methyl-2-(quinolin-2-yl)-1H-indol-3-yl]butanoicacid
Smiles: OC(=O)CCCc1c([nH]c2c1cc(C)cc2)c1ccc2c(n1)cccc2
STK585180
Synonyms: 5-{(2E)-3-[4-(diethylamino)phenyl]prop-2-enoyl}-3-(4-ethoxyphenyl)-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1)N(CC)CC)O
STK585181
Synonyms: 8-methoxy-3-phenyl-2-propyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1c1ccccc1
STK585183
Synonyms: N-{1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}acetamide
Smiles: CC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2CCc1c[nH]c2c1cc(F)cc2)C(F)(F)F
STK585184
Synonyms: N-(furan-2-ylmethyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(CN1CCc2c(C1)cc1c(c2)OCCCO1)NCc1ccco1
STK585186
Synonyms: [(2E)-4-hydroxy-2-{(2E)-[(5-methylthiophen-2-yl)methylidene]hydrazinylidene}-2,5-dihydro-1,3-thiazol-5-yl]aceticacid
Smiles: Cc1ccc(s1)/C=N/N=C\1/SC(C(=N1)O)CC(=O)O
STK850293
Synonyms: 2-[7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc2n(n1)cnc1c2cnn1c1ccc(c(c1)Cl)C
STK850294
Synonyms: 2-(4-chlorophenoxy)-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: Clc1ccc(cc1)OCC(=O)/N=c\1/scc([nH]1)c1ccccc1
STK585190
Synonyms: ethyl4-hydroxy-2-(morpholin-4-yl)pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1O)N1CCOCC1
STK585191
Synonyms: 5-hydroxy-2-({3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=S)S/C(=C\c2cccs2)/C1=O
STK850295
Synonyms: N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1cccc(c1C)C
STK585193
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl
STK585194
Synonyms: 6-butyl-1-(pyridin-3-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCCN1CNc2c(C1)c(=O)nc(n2Cc1cccnc1)S
STK850297
Synonyms: (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccccc1)C)/c1ccccc1
STK850298
Synonyms: 3-(2-methoxyethyl)-1,7-dimethyl-8-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1)C
STK585200
Synonyms: 4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-6,7-dimethyl-2H-chromen-2-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(C)c(c2)C
STK585204
Synonyms: 1-{2-[(2,3-dimethylphenoxy)methyl]-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)COc1cccc(c1C)C
STK585206
Synonyms: ethyl[3-(4-chlorophenyl)-7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(c1ccc(cc1)Cl)c(n2)C
STK585211
Synonyms: 3-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)propanamide
Smiles: COc1ccc(c(c1)NC(=O)CCc1nc2c([nH]1)cccc2)OC
STK585212
Synonyms: 1-(4-methylphenyl)-2-(prop-2-en-1-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: C=CCN1C(=O)c2c(C1c1ccc(cc1)C)c(=O)c1c(o2)cccc1
STK585213
Synonyms: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-methyl-2-oxo-2H-chromen-5-olate
Smiles: Cc1cc([O-])c2c(c1)oc(=O)cc2C[NH+]1CCN(CC1)Cc1ccccc1
STK850301
Synonyms: N-(2-chlorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)NCc1ccccc1Cl
STK585219
Synonyms: ethyl{1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Smiles: CCOC(=O)Cn1c(CN2CCC(CC2)C)nc2c1c(=O)n(c(=O)n2C)C
STK585220
Synonyms: 7-chloro-6-methyl-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK585222
Synonyms: 6-hydroxy-3-methyl-8-(2-propoxyphenyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCCOc1ccccc1c1[nH]c2c(n1)n(C)c(=O)nc2O
STK585223
Synonyms: 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-[4-(propan-2-yl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)C(C)C)c(=O)c1c(o2)c(Cl)cc(c1)Cl
STK585232
Synonyms: (3S)-N-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1NCc2c(C1)cccc2
STK585236
Synonyms: 1-{[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]methyl}-1H-indole-2,3-dione
Smiles: COc1ccc(cc1)C1CC(=NN1CN1c2ccccc2C(=O)C1=O)c1cccs1
STK585240
Synonyms: 10-methyl-3-(2-phenylethyl)-2-(propan-2-yl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: O=c1n(CCc2ccccc2)c(nc2c1c(=O)c1ccccc1n2C)C(C)C
STK585241
Synonyms: 7-cyclohexyl-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine
Smiles: Nc1n[nH]c2c1c1CCN(Cc1c(n2)N1CCCC1)C1CCCCC1
STK585242
Synonyms: 2-ethyl-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1nc2n(n1)c(O)cc(n2)C(C)C
STK585247
Synonyms: 5-{[2-(morpholin-4-yl)ethyl]amino}-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCCN1CCOCC1)c1ccccc1[N+](=O)[O-]
STK585251
Synonyms: 4-hydroxy-8-(4-methoxybenzyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1ccc(cc1)Cn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C
STK585253
Synonyms: 6-(4-hydroxyphenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
Smiles: Oc1ccc(cc1)C1Sc2ccccc2N=C2C1=C(O)c1c2cccc1
STK585255
Synonyms: 4-(4-chloro-2-methylphenoxy)-1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)butan-1-one
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)CCCOc1ccc(cc1C)Cl
STK585257
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C)O
STK585258
Synonyms: 5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-1H-indole-2-carboxamide
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)N(C1CCS(=O)(=O)C1)C
STK585259
Synonyms: 5-oxo-5-{[2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]amino}pentanoicacid
Smiles: O=C(Nc1ccccc1c1nc2ccccc2[nH]c1=O)CCCC(=O)O
STK850310
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCCC1=CCCCC1
STK585261
Synonyms: 4-[10-(4-hydroxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)O)sc(=O)[nH]1
STK585263
Synonyms: (5Z)-5-[(6-hydroxy-4-oxo-4H-chromen-3-yl)methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CN1C(=O)/C(=C/c2coc3c(c2=O)cc(cc3)O)/SC1=S
STK585264
Synonyms: N-(1-benzylpiperidin-4-yl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(NC1CCN(CC1)Cc1ccccc1)COc1ccc2c(c1)oc(=O)cc2
STK585270
Synonyms: methylN-{[4-(4-methylpiperidin-1-yl)phenyl]carbamoyl}-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1)N1CCC(CC1)C
STK585275
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-(butan-2-yl)-5-chloro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cc(Cl)cc2)C
STK585277
Synonyms: [5-(4-chlorophenyl)-2-(pyridin-3-yl)-1,3-thiazol-4-yl]aceticacid
Smiles: OC(=O)Cc1nc(sc1c1ccc(cc1)Cl)c1cccnc1
STK585284
Synonyms: {[(2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)/C2=O
STK585285
Synonyms: {(5S)-5-(benzylcarbamoyl)-3-[2-(benzyloxy)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccccc1OCc1ccccc1)C(=O)NCc1ccccc1
STK850312
Synonyms: 8-(3,5-dimethylphenyl)-3-(2-methoxyethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1cc(C)cc(c1)C
STK585288
Synonyms: N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-phenylpropanamide
Smiles: CSCCC(c1nnc2n1cccc2)NC(=O)CCc1ccccc1
STK850313
Synonyms: 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
Smiles: Cc1sc2c(c1)c(NCCc1ccccc1)ncn2
STK585290
Synonyms: N-(3-bromobenzyl)-4-tert-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccc(cc1)C(C)(C)C)C1CCS(=O)(=O)C1
STK850315
Synonyms: N-[(2Z)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
Smiles: O=C(Cn1c(=O)sc2c1cccc2)/N=c\1/[nH]nc(s1)C(C)(C)C
STK585292
Synonyms: 4-(phenylcarbonyl)-2-[3-(trifluoromethyl)phenyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)C2C1C(N1C2CCC1)C(=O)c1ccccc1
STK585293
Synonyms: 7-(furan-2-yl)-9-(2-methylpropyl)-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine
Smiles: CC(Cn1cnc2c(c1=N)C(c1ccco1)c1c(O2)c2ccccc2cc1)C
STK585296
Synonyms: 2-(4-chlorophenyl)-12-(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)cc(cc2)O
STK585298
Synonyms: 5-({3-[(4-fluorobenzyl)oxy]benzyl}amino)-2-(morpholin-4-ium-4-yl)benzoate
Smiles: Fc1ccc(cc1)COc1cccc(c1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1
STK585300
Synonyms: 7-(3,5-difluorophenyl)-5-(furan-2-yl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1cc(cc(c1)F)C1C=C(N=c2n1nc[nH]2)c1ccco1
STK850316
Synonyms: 4-chloro-N-[(4Z)-2-(4-nitrophenyl)quinazolin-4(3H)-ylidene]aniline
Smiles: Clc1ccc(cc1)/N=c/1\[nH]c(nc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
STL036537
Synonyms: N-(3,4-dimethoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(ccc1OC)Nc1cc(C)nc2n1ncn2
STK585301
Synonyms: ethyl2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-4-[(4-methylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1CN1CCN(CC1)C)/N=c/1\oc2c([nH]1)cccc2
STK850318
Synonyms: 7-hydroxy-3-(4-methoxyphenoxy)-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: COc1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)CN1CCOCC1)O
STK585306
Synonyms: 2,4-dichloro-N-[5-hydroxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)Nc1cc(O)nc2n1nc(n2)C(F)(F)F
STK585310
Synonyms: 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(4-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccnc(c1)N1C(=O)c2c(C1c1ccc(cc1)O)c(=O)c1c(o2)cc(c(c1)C)C
STK585312
Synonyms: 2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(onc1C(F)(F)F)c1ccc(cc1O)OCC(=C)C
STK585315
Synonyms: N-[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]propane-1,3-diamine
Smiles: NCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)CC(C)C
STK850320
Synonyms: 6-benzyl-2-[(4-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Clc1ccc(cc1)CNc1nn2c([nH]1)nc(c(c2=O)Cc1ccccc1)C
STK850321
Synonyms: 7-(2,4-dimethylphenyl)-2-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(c(c1)C)n1ncc2c1ncn1c2nc(n1)CCc1ccccc1
STK585316
Synonyms: N-[2-(1H-imidazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
Smiles: O=C(c1ccc2c(c1)OCO2)NCCc1cnc[nH]1
STK585319
Synonyms: 6-benzyl-5-methyl-2-(phenoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2n(c(c1Cc1ccccc1)O)nc(c2c1ccccc1)COc1ccccc1
STK585321
Synonyms: 1-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)-3-(2,4-dichlorophenyl)guanidine
Smiles: Oc1nc(nc(c1)CSc1nnc(s1)N)NC(=N)Nc1ccc(cc1Cl)Cl
STK850322
Synonyms: (6E)-6-[(4-methoxyphenyl)imino]-4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)/N=c\1/nc(CSc2nncn2C)nc([nH]1)N
STK585326
Synonyms: 6-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Nc1ccc(c(c1)C(F)(F)F)Cl
STK850323
Synonyms: 8-(3-methoxyphenyl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(c1)OC
STK850325
Synonyms: 2-methyl-7-[4-(2-methylphenyl)piperazin-1-yl]-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)c2ccccc2C)n2c(n1)c(c1ccccc1)c(n2)C)C
STK585335
Synonyms: 5-(4-fluorophenyl)-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]nc1c1ccc(cc1)F)OC
STK585340
Synonyms: (E)-1-phenyl-N-[(9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccccc1
STK585341
Synonyms: (2E)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-1-[2-(thiophen-2-yl)quinolin-4-yl]ethanone
Smiles: O=C(c1cc(nc2c1cccc2)c1cccs1)/C=C\1/NCCc2c1cc1OCOc1c2
STK585342
Synonyms: N-[2-(furan-2-yl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)Nc1cc(O)nc2n1nc(n2)c1ccco1
STK585345
Synonyms: N'-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1cc(C)nc2n1nc(c2c1ccc(cc1)C)C)C
STK585346
Synonyms: N'-[5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1c(C)c(n2c1cccnc1)C)CC
STK850328
Synonyms: 2-hydroxy-1-methyl-8-phenyl-9-propyl-1,9-dihydro-6H-purin-6-one
Smiles: CCCn1c(nc2c1nc(O)n(c2=O)C)c1ccccc1
STK585347
Synonyms: methylN-[(4-benzylpiperazin-1-yl)carbonyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)N1CCN(CC1)Cc1ccccc1)C
STK850329
Synonyms: 3-(furan-2-yl)-7-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1cccc(c1)n1ncc2c1ncn1c2nnc1c1ccco1
STK585354
Synonyms: 3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
Smiles: Oc1c2CCCc2nc2n1ncc2c1ccccc1
STK850331
Synonyms: N-{2-[(2-chlorophenyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}propanamide
Smiles: CCC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1ccccc1Cl
STK585355
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Fc1ccc(cc1)Nc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C
STK585358
Synonyms: ethyl8-methyl-10-phenyl-2-(pyridin-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)c1ccccn1
STK585362
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N-(2-methoxyphenyl)butanamide
Smiles: CCCC(=O)N(c1ccccc1OC)Cc1cc(O)nc2c1cccc2
STK850332
Synonyms: N-[4-(acetylamino)phenyl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)C)C
STK585364
Synonyms: 7-chloro-1-(4-methoxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK850333
Synonyms: N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: CSc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)cccc3)/s1
STK850335
Synonyms: 4-(4-chlorophenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1ccccc1O
STK585372
Synonyms: 2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-chlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccc(cc1)Cl)C(F)(F)F
STK585376
Synonyms: 5-chloro-2-methoxy-N-[(4Z)-2-(3-methylphenyl)quinazolin-4(3H)-ylidene]aniline
Smiles: COc1ccc(cc1/N=c/1\[nH]c(nc2c1cccc2)c1cccc(c1)C)Cl
STK585382
Synonyms: N-[(2Z)-3-(2-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1ccccc1Cl)CS(=O)(=O)C2
STK585387
Synonyms: methylN-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc2c(c1)nc(o2)c1cccnc1
STK585390
Synonyms: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(3-methoxypropyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK585392
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(furan-2-ylmethyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: COc1cc(CCNc2ncnc3c2c(C)c(n3Cc2ccco2)C)ccc1OC
STK585393
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
Smiles: Clc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1cccc(c1)Cl
STK585398
Synonyms: tert-butyl(3S)-3-(1H-benzimidazol-2-ylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(N1Cc2ccccc2C[C@H]1C(=O)Nc1nc2c([nH]1)cccc2)OC(C)(C)C
STK585400
Synonyms: N-(benzylcarbamoyl)leucine
Smiles: CC(CC(C(=O)O)NC(=O)NCc1ccccc1)C
STK585401
Synonyms: 4-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
Smiles: CN(c1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1cccc(c1Cl)Cl)C
STK850340
Synonyms: 8-(1,3-benzodioxol-5-yl)-3-benzyl-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)CC1c1ccc2c(c1)OCO2)Cc1ccccc1
STK585407
Synonyms: N-(2,5-dimethoxyphenyl)-3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Smiles: COc1ccc(cc1NC(=O)CCn1c(C)nc2c1cccc2)OC
STK585409
Synonyms: 2-[(2-methoxyphenoxy)methyl]-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccccc1OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C
STK585410
Synonyms: 6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nn2c(c1c1ccccc1)nc(c(c2O)Cl)C
STK585414
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-nitrobenzamide
Smiles: Oc1cc(NC(=O)c2cccc(c2)[N+](=O)[O-])n2c(n1)nc(n2)CCc1ccccc1
STK585420
Synonyms: 7-chloro-8-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinoline
Smiles: Clc1nc2cc3OCCOc3cc2cc1/C=N/N=c/1\[nH]c2c([nH]1)cccc2
STK585424
Synonyms: 4-tert-butyl-N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)C(C)(C)C)n2c(n1)nc(n2)c1ccccc1
STK585427
Synonyms: 5-(3-ethoxyphenyl)-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1
STK850343
Synonyms: 3-(4-ethylphenyl)-6-oxo-8-(thiophen-2-yl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccs1)c1ccc(cc1)CC
STK850344
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Smiles: Cc1nn(c(c1)C)C(=O)CCC1COc2c(O1)cccc2
STK585440
Synonyms: 2,6-dibenzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2n(c(c1Cc1ccccc1)O)nc(c2c1ccccc1)Cc1ccccc1
STK585447
Synonyms: 1-({(6Z)-4-amino-6-[(4-methoxyphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-yl}methyl)piperidine-4-carboxamide
Smiles: COc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCC(CC1)C(=O)N
STK585452
Synonyms: 6-chloro-7-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C
STK585454
Synonyms: N'-[2-(4-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine
Smiles: CCN(CCNc1nc(nc2c1oc1c2cccc1)c1ccc(cc1)Cl)CC
STK585456
Synonyms: 6-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCCc1c(C)nc2n(c1O)nc(c2c1ccccc1)C
STK585457
Synonyms: 6-benzyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2cc(nn2c(c1Cc1ccccc1)O)c1ccccc1
STK585463
Synonyms: 2-[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-oxo-2H-chromen-6-yl)acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2F)/C1=O)Nc1ccc2c(c1)ccc(=O)o2
STK585467
Synonyms: 4-hydroxy-1,6,7-trimethyl-8-(2-methylphenyl)-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Cc1ccccc1n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C
STK585469
Synonyms: 5-[(2E)-3-(1-benzyl-1H-indol-3-yl)prop-2-enoyl]-3-butyl-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCCCn1c(O)nc(c(c1=O)C(=O)/C=C/c1cn(c2c1cccc2)Cc1ccccc1)O
STK585471
Synonyms: 2-(2-fluorophenyl)-4-[(4-fluorophenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1F
STK585472
Synonyms: ethyl2-(2-hydroxyphenyl)-8-methyl-10-phenyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)c1ccccc1O
STK585474
Synonyms: (5Z)-3-cyclohexyl-6-hydroxy-5-{1-[2-(naphthalen-1-yl)hydrazinyl]ethylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(/NNc2cccc3c2cccc3)\C)/C(=O)N1C1CCCCC1
STK850349
Synonyms: 4-(4-chlorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Clc1ccc(cc1)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK585476
Synonyms: 4-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
Smiles: Oc1ccc(cc1)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2
STK585477
Synonyms: N-[3-(diethylamino)propyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
Smiles: CCN(CCCNC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)OC)CC
STK585479
Synonyms: (2Z)-6-[(4-fluorobenzyl)oxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: Fc1ccc(cc1)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O
STK850350
Synonyms: 1-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: COc1cc(cc(c1O)OC)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)Cl
STK850351
Synonyms: 2,5-dimethyl-6-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CC(CCc1c(C)nc2n(c1O)nc(n2)C)C
STK585481
Synonyms: 5-tert-butyl-N-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C
STK585482
Synonyms: 1-[2-(3,4-dimethoxybenzyl)-10-(4-methoxyphenyl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccc(cc1)C1C(=C(C)Oc2c1c1nc(nn1cn2)Cc1ccc(c(c1)OC)OC)C(=O)C
STK585484
Synonyms: {4-[3-(quinolin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}aceticacid
Smiles: OC(=O)Cc1ccc(cc1)n1c(=S)[nH]nc1c1ccc2c(n1)cccc2
STK585488
Synonyms: 4-oxo-N-(pyridin-3-yl)-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1cccnc1
STK850353
Synonyms: N-(1,3-benzodioxol-5-yl)-1-benzyl-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1
STK850354
Synonyms: 3-[(4-bromo-2-fluorophenyl)amino]-2-benzofuran-1(3H)-one
Smiles: Brc1ccc(c(c1)F)NC1OC(=O)c2c1cccc2
STK585491
Synonyms: 2-(4-benzyl-7-chloro-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)-N-(4-chlorophenyl)acetamide
Smiles: O=C(Cn1c(=O)c(=O)n(c2c1cc(Cl)cc2)Cc1ccccc1)Nc1ccc(cc1)Cl
STK585494
Synonyms: N-(1-benzylpiperidin-4-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)NC1CCN(CC1)Cc1ccccc1
STK585495
Synonyms: 10-ethyl-3,3-dimethyl-11-phenyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: CCN1C(c2ccccc2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C
STK585496
Synonyms: (8E)-1,3,7-trimethyl-8-[(2E)-(quinolin-6-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Cn1/c(=N/N=C/c2ccc3c(c2)cccn3)/[nH]c2c1c(=O)n(c(=O)n2C)C
STK585497
Synonyms: (5Z)-6-hydroxy-5-[(2E)-1-hydroxy-3-(3-methoxyphenyl)prop-2-en-1-ylidene]-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2cccc(c2)OC)/O)/C1=O)O
STK850356
Synonyms: {[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetonitrile
Smiles: N#CCOc1ccc2c(c1)occ(c2=O)Oc1ccccc1Br
STK850357
Synonyms: 2-(furan-2-yl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)c1ccco1
STK585500
Synonyms: N-(2,5-dimethoxyphenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)c1cc2c([nH]1)cc(c(c2)OC)OC)OC
STK585505
Synonyms: N-(3-methoxyphenyl)-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Smiles: COc1cccc(c1)Nc1ncnc2c1c(C)c(o2)C
STK850359
Synonyms: N-(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)Nc1ccccc1OC
STK585507
Synonyms: 6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(pyridin-2-yl)hexanamide
Smiles: O=C(Nc1ccccn1)CCCCCn1nnc2c(c1=O)cccc2
STK585508
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-7-[4-(pyridin-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2N1CCN(CC1)c1ccccn1)C(C)(C)C
STK850360
Synonyms: N-(2,4-dimethylquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
Smiles: Cc1cc(C)c2c(n1)c(ccc2)NC(=O)c1cccc(c1)N1C(=O)CCC1=O
STK585512
Synonyms: 2-benzyl-6-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1c(C)nc2n(c1O)nc(c2c1ccccc1)Cc1ccccc1
STK585518
Synonyms: 1-(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)proline
Smiles: Cc1nc(N2CCCC2C(=O)O)c2c(n1)c1ccccc1o2
STK585519
Synonyms: N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)c1ccccc1)CCc1ccccc1
STK585520
Synonyms: 3-(1,3-benzodioxol-5-yl)-6-methyl-N-(thiophen-2-ylmethyl)heptan-1-amine
Smiles: CC(CCC(c1ccc2c(c1)OCO2)CCNCc1cccs1)C
STK585522
Synonyms: 1H-benzimidazol-2-ylmethyl4-(azepan-1-ylsulfonyl)benzoate
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)OCc1nc2c([nH]1)cccc2
STK585527
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1cccc(c1)C(=O)C)C
STK585532
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-7-[4-(2,4-dimethylbenzyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2N1CCN(CC1)Cc1ccc(cc1C)C)C(C)(C)C
STK585537
Synonyms: N'-[(E)-(2-chloro-7-methylquinolin-3-yl)methylidene]-2-hydroxybenzohydrazide
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)c1ccccc1O)Cl
STK850366
Synonyms: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl](piperidin-1-yl)methanone
Smiles: O=C(c1cccnc1c1nc2c(s1)cccc2)N1CCCCC1
STK585541
Synonyms: 5-[(2-chloro-6-fluorobenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: [O-]C(=O)c1cc(NCc2c(F)cccc2Cl)ccc1[NH+]1CCOCC1
STK585543
Synonyms: (4-methoxy-2-methyl-1,1-dioxido-2H-1,2-benzothiazin-3-yl)(morpholin-4-yl)methanone
Smiles: COC1=C(C(=O)N2CCOCC2)N(C)S(=O)(=O)c2c1cccc2
STK585545
Synonyms: 2-methyl-3-phenyl-N-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2Nc2ccc(cc2)C(C)C)CCCC1
STK585546
Synonyms: (10aS)-2-hexyl-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: CCCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK850368
Synonyms: 3-(2-methoxyethyl)-1,6,7-trimethyl-8-(4-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccc(cc1)C
STK585549
Synonyms: 10-(3-hydroxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Cc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1cccc(c1)O
STK585550
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-[4-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)C=C
STK585556
Synonyms: (2R)-2-amino-N'-[(E)-(2-chloro-7-methylquinolin-3-yl)methylidene]-4-methylpentanehydrazide(non-preferredname)
Smiles: CC(C[C@H](C(=O)N/N=C/c1cc2ccc(cc2nc1Cl)C)N)C
STK585560
Synonyms: N-({(2Z)-4-oxo-2-[(2E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl}acetyl)glycine
Smiles: O=C(CC1S/C(=N\N=C/2\SCC(=O)N2)/NC1=O)NCC(=O)O
STK585561
Synonyms: 7-hydroxy-1-methyl-2-(methylsulfanyl)-5-(2,4,5-trimethoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1cc(OC)c(cc1C1CC(=Nc2c1c(=O)nc(n2C)SC)O)OC
STK585567
Synonyms: methyl4-(4-hydroxyphenyl)-2-methyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c1ccccc1[nH]2
STK585574
Synonyms: 2-(4-chlorophenyl)-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoline
Smiles: Clc1ccc(cc1)c1cn2c(c1)c1cc3OCOc3cc1CC2
STK850374
Synonyms: 3-(2-hydroxy-4,6-dimethylphenyl)-5-propyl-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1c(C)cc(cc1O)C
STK585581
Synonyms: N-[6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]acetamide
Smiles: CC(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)CCc1ccccc1)C(F)(F)F
STK585583
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1Cl
STK585586
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1
STK850376
Synonyms: 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-7-ylmorpholine-4-carboxylate
Smiles: COc1ccc(cc1c1c(=O)oc2c(c1C)ccc(c2)OC(=O)N1CCOCC1)OC
STK585587
Synonyms: 4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2(1H)-one
Smiles: Cc1nn(c(c1)C)c1cc[nH]c(=O)n1
STK585589
Synonyms: 3-benzyl-5-(2-chlorophenyl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccccc2Cl)c(=N)n(cn1)Cc1ccccc1
STK585596
Synonyms: 3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(4-sulfamoylbenzyl)propanamide
Smiles: COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)NCc1ccc(cc1)S(=O)(=O)N
STK850379
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2Nc1ccccc1
STK585602
Synonyms: N'-[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CCCC)O)/CC
STK850381
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)-7-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2N1CCCCC1
STK850382
Synonyms: 2-[2-amino-5-(2-bromophenoxy)pyrimidin-4-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)ncc1Oc1ccccc1Br
STK850383
Synonyms: 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: O=C(Cn1c(=O)sc2c1cccc2)/N=c\1/[nH]nc(s1)C(C)C
STK585608
Synonyms: N-(2-methoxyethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: COCCN(C(=O)CC)Cc1cc2cccc(c2[nH]c1=O)C
STK585609
Synonyms: 2-({[(5E)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=S)S/C(=C/c2ccc(cc2)F)/C1=O
STK585610
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)Br
STK585612
Synonyms: 8-(4-fluorophenyl)-4-hydroxy-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2(6H)-one
Smiles: Fc1ccc(cc1)N1CCn2c1nc1c2c(O)nc(=O)n1C
STK585614
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[4-(2-methoxyphenyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1ccccc1c1cnoc1c1ccc(cc1O)OCc1cccc(c1)Cl
STK585615
Synonyms: 7-fluoro-2-(6-methylpyridin-2-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(c2cccc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F
STK585617
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cccc(c1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK585619
Synonyms: 1-(4-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-ol
Smiles: COCc1cc(O)c2c(n1)n(nc2C)c1ccc(cc1)Cl
STK585620
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2ccc(cc2O)C)sc2c1CCCC2
STK585623
Synonyms: N-(4-bromophenyl)-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Smiles: Brc1ccc(cc1)Nc1ncnc2c1c(C)c(o2)C
STK585625
Synonyms: N-{2-[(4-fluorophenyl)carbonyl]-1-benzofuran-3-yl}-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: Fc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1ccccc1O)cccc2
STK850385
Synonyms: 1-(3-methoxypropyl)-4-oxo-N-(2-phenylethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCCc1ccccc1
STK850387
Synonyms: 5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: COc1ccc(c(c1)O)c1onc(c1c1ccccc1)C
STK585632
Synonyms: 2-({3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=O)S/C(=C\c2ccccc2)/C1=O
STK585637
Synonyms: N-(4-methoxyphenyl)-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Smiles: COc1ccc(cc1)Nc1ncnc2c1c(C)c(o2)C
STK850388
Synonyms: N-(furan-2-ylmethyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccco1
STK585648
Synonyms: N-{4-[ethyl(phenyl)sulfamoyl]phenyl}-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccccc1O)c1ccccc1
STK585652
Synonyms: 4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]-N-[2-(trifluoromethyl)phenyl]cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1c(O)nc2c(c1=O)cccc2)Nc1ccccc1C(F)(F)F
STK585655
Synonyms: 2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)benzoicacid
Smiles: OC(=O)c1ccccc1n1c(O)nc2c(c1=O)cccc2
STK585659
Synonyms: N-[2-hydroxy-5-oxo-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: O=C(c1ccccc1)NC1(N=C(N(C1=O)Cc1ccncc1)O)C(F)(F)F
STK585662
Synonyms: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1NC(=O)C(=O)/C/1=C(\c1ccc(cc1)C)/O
STK585664
Synonyms: 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)Oc1cnc(nc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl)N
STK585670
Synonyms: 2-[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1ccc2c(c1)oc(=O)c1c2cccc1
STK585674
Synonyms: (5E)-5-{[5-(2,4-dichlorophenyl)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(cc2Cl)Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK585677
Synonyms: 3-[(4-fluoro-3-nitrophenyl)amino]-2-benzofuran-1(3H)-one
Smiles: [O-][N+](=O)c1cc(ccc1F)NC1OC(=O)c2c1cccc2
STK850393
Synonyms: 7-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2n1nc(cc1C)C
STK585682
Synonyms: 4-imino-5-(2-methoxyphenyl)-3-[3-(morpholin-4-yl)propyl]-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c(=N)n(cn2)CCCN1CCOCC1)O
STK585684
Synonyms: 5-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1ccc(cc1)S(=O)(=O)N
STK585686
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-furan-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccco1
STK585687
Synonyms: N-cyclohexyl-1-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)NC2CCCCC2)n2c3c1CCCCn3c(c2)c1ccc(cc1)OC
STK585689
Synonyms: 1,3-dimethyl-7-(2-methylpropyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C
STK850395
Synonyms: 7-[4-(diphenylmethyl)piperazin-1-yl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)C(c2ccccc2)c2ccccc2)n2c(n1)nc(n2)C(F)(F)F
STK585690
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-propoxybenzamide
Smiles: CCCOc1ccc(cc1)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK850396
Synonyms: 2-methyl-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nnc(s1)SCc1cc(O)n2c(n1)nc(n2)C
STK585696
Synonyms: 4-{5-[(E)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzenesulfonamide
Smiles: SC1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)S(=O)(=O)N)/C(=N1)O
STK585697
Synonyms: N-(4-acetylphenyl)-2-{[8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1
STK585698
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxylicacid
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)O
STK850397
Synonyms: N'-[(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]-2-hydroxybenzohydrazide
Smiles: O=C(CC1SC(=O)NC1=O)NNC(=O)c1ccccc1O
STK585704
Synonyms: 7-(3-chlorobenzyl)-8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1Cc1cccc(c1)Cl)c(O)nc(=O)n2C
STK585705
Synonyms: 2,6-dihydroxy-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-3-phenylpyrimidin-4(3H)-one
Smiles: O=C1OC(c2c1cccc2)c1c(O)nc(n(c1=O)c1ccccc1)O
STK585711
Synonyms: 1-(2-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccccc1C1N(CC(c2ccccc2)O)C(=O)c2c1c(=O)c1c(o2)cccc1
STK585718
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: CN(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccccc1Cl)C
STK585721
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)/C(=C\1/C(NC(=O)C1=O)c1ccccc1)/O
STK850401
Synonyms: 4-[4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C(F)(F)F
STK585728
Synonyms: 10-bromo-2,7-dioxo-3-phenyl-2,3,5,5a,7,11b-hexahydroisochromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylicacid
Smiles: OC(=O)C1Sc2c(C3C1OC(=O)c1c3cc(cc1)Br)sc(=O)n2c1ccccc1
STK585730
Synonyms: 4-(4-chlorophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1cc(C)cc(c1O)C
STK585734
Synonyms: N'-(5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)-N,N-dimethylimidoformamide
Smiles: CN(/C=N/c1cnn(c(=O)c1Cl)c1ccccc1)C
STK850404
Synonyms: N-ethyl-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCC
STK585738
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-chlorophenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)Cl)c([nH]n2)c1cc(Cl)c(cc1O)C
STK585740
Synonyms: 8,10-dimethyl-2-propyl-4-(pyrrolidin-1-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCCC2)n2c(n1)c1c(C)cc(nc1n2)C
STK585743
Synonyms: 2,12-di(furan-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c2nc(nn2cn1)c1ccco1
STK585748
Synonyms: 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
Smiles: O=C(C(Oc1cc2oc(=O)cc(c2cc1Cl)C)C)NCc1ccccn1
STK585751
Synonyms: N-{3-[4,8-dimethyl-2-oxo-7-(1H-tetrazol-5-ylmethoxy)-2H-chromen-3-yl]propanoyl}-L-alanine
Smiles: O=C(N[C@H](C(=O)O)C)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1nnn[nH]1
STK585753
Synonyms: 9-(2-chloro-5-nitrophenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nc2n(n1)C(C1=C(O)CCCC1=N2)c1cc(ccc1Cl)[N+](=O)[O-]
STK585758
Synonyms: N-[4-(2-chlorophenyl)-6-methyl-5-oxo-2-phenyl-2,5-dihydropyridazin-3-yl]-2-fluorobenzamide
Smiles: Fc1ccccc1C(=O)Nc1c(c2ccccc2Cl)c(=O)c(nn1c1ccccc1)C
STK585759
Synonyms: 2-[(4-chlorobenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: Clc1ccc(cc1)CNc1[nH]c2n(n1)c(=O)c1c(n2)CCC1
STK585760
Synonyms: 4-{(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoicacid
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1CCCC(=O)O
STK585763
Synonyms: 4-{[(E)-furan-2-ylmethylidene]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/c1ccco1)C
STK585765
Synonyms: 5-benzyl-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccccc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK850412
Synonyms: 3,6,6-trimethyl-4-oxo-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)NCc1ccccn1
STK850413
Synonyms: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc(O)c2c(n1)CCC2
STK585776
Synonyms: 2-{(2E)-[4-methoxy-3-(morpholin-4-ylmethyl)benzylidene]hydrazinylidene}-2,3-dihydro-1H-benzimidazole
Smiles: COc1ccc(cc1CN1CCOCC1)/C=N/N=c/1\[nH]c2c([nH]1)cccc2
STK585777
Synonyms: methylN-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NC1CCCc2c1cccc2
STK585778
Synonyms: 4-fluoro-N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1
STK850414
Synonyms: 2-(2-chlorophenoxy)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)propanamide
Smiles: O=C(C(Oc1ccccc1Cl)C)Nc1nonc1c1ccccc1
STK585782
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
Smiles: O=c1[nH]c2ccccc2cc1CN(S(=O)(=O)C)Cc1cccnc1
STK850415
Synonyms: ethyl4-{[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK850416
Synonyms: 8,10-dimethyl-4-(morpholin-4-yl)-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCOCC2)n2c(n1)c1c(C)cc(nc1n2)C
STK850419
Synonyms: 2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)nc(c1c1ccc(cc1)Cl)C(F)(F)F
STK585791
Synonyms: (2Z)-6-[(2,4-dichlorobenzyl)oxy]-2-[(2E)-3-phenylprop-2-en-1-ylidene]-1-benzofuran-3(2H)-one
Smiles: Clc1ccc(c(c1)Cl)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)/C2=O
STK850420
Synonyms: 4-[(2,6-dimethylmorpholin-4-yl)methyl]-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: CC1CN(CC(O1)C)Cc1cc(=O)oc2c1cc1CCCc1c2
STK585798
Synonyms: 5-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]quinoxaline
Smiles: N(=C\c1cccc2c1nccn2)/N=c/1\[nH]c2c([nH]1)cccc2
STK585799
Synonyms: 7'-{[1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: CCC(=C1C(=O)N(C)C(=O)N(C1=O)C)Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C
STK585802
Synonyms: 2-[4-(4-bromophenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(2,4-dichlorobenzyl)oxy]phenol
Smiles: Brc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl
STK585803
Synonyms: 4-(2,3-dimethylbutan-2-yl)phenol
Smiles: CC(C(c1ccc(cc1)O)(C)C)C
STK585807
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(3-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cccc(c1)Nc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C
STK585808
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O)OC
STK850421
Synonyms: N-methyltetrahydrothiophene-3-sulfonamide1,1-dioxide
Smiles: CNS(=O)(=O)C1CCS(=O)(=O)C1
STK850422
Synonyms: 3-benzyl-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(OC)c(c(c1)OC)OC)Cc1ccccc1
STK585817
Synonyms: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-phenoxyacetamide
Smiles: O=C(Nc1onc(c1)c1ccc(cc1)C)COc1ccccc1
STK585818
Synonyms: N-{(2S)-3-methyl-1-[(4-methylbenzyl)amino]-1-oxobutan-2-yl}-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
STK585826
Synonyms: N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2,2-dimethylpropanamide
Smiles: Clc1ccc(cc1)c1nn2c(n1)nc(cc2NC(=O)C(C)(C)C)O
STK585833
Synonyms: methylN-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc(ccc1C)c1n[nH]c(=O)c2c1cccc2)C
STK585834
Synonyms: N-[2-(3-fluorophenyl)ethyl]-2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCCc1cccc(c1)F
STK585838
Synonyms: N-[(2Z)-5,5-dioxido-3-(prop-2-en-1-yl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: C=CCN1/C(=N/C(=O)COC)/SC2C1CS(=O)(=O)C2
STK585839
Synonyms: 5,6-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1C)O)c1cccnc1
STK850424
Synonyms: 4-chloro-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)CC1CCCO1
STK585841
Synonyms: 2-[2-amino-5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(3-chlorobenzyl)oxy]phenol
Smiles: Nc1nc(c2ccc(cc2O)OCc2cccc(c2)Cl)c(c(n1)C(F)(F)F)c1ccccc1
STK585844
Synonyms: 8-(piperazin-1-yl)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCNCC1
STK585853
Synonyms: 4-{(2E)-2-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]hydrazinyl}benzoicacid
Smiles: COc1ccc2c(c1)cc(c(n2)Cl)/C=N/Nc1ccc(cc1)C(=O)O
STK850427
Synonyms: methyl2-methyl-4-(pyridin-3-yl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1cccnc1)c1ccccc1[nH]2
STK585857
Synonyms: 7-[(4-ethenylbenzyl)oxy]-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: C=Cc1ccc(cc1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F
STK585859
Synonyms: 5-(2-hydroxyphenyl)-N-{3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2
STK585864
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(furan-2-ylmethylidene)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccco2)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK585866
Synonyms: (2E)-4-amino-N-(5-methyl-1,3-oxazol-2-yl)-2-(phenylimino)-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: Cc1cnc(o1)NC(=O)c1s/c(=N/c2ccccc2)/[nH]c1N
STK585867
Synonyms: N-benzyl-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CC1(C)OCc2c(C1)c1c(NCc3ccccc3)nc3n(c1s2)nnn3
STK850431
Synonyms: 2-methyl-N-(2-methylpropyl)-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: CC(CNc1c2CCCc2nc2n1nc(c2c1ccccc1)C)C
STK585871
Synonyms: 3-(4-ethylpiperazin-1-yl)-7-methyl-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCN1CCN(CC1)c1nc(N2CCCC2)c2c(c1C#N)CCN(C2)C
STK850432
Synonyms: 4-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-5-(tetrahydrofuran-2-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1O)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK585872
Synonyms: 3-chloro-N-[(2E)-6-chloro-1,3-benzothiazol-2(3H)-ylidene]-7-nitro-1-benzothiophene-2-carboxamide
Smiles: Clc1ccc2c(c1)s/c(=N/C(=O)c1sc3c(c1Cl)cccc3[N+](=O)[O-])/[nH]2
STK585873
Synonyms: 4-methoxy-N-[(3E)-7-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c\1/[nH]n(c2c1cc1ccc(cc1n2)C)CC(C)C
STK585876
Synonyms: N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]methanesulfonamide
Smiles: Cc1ccc(c(c1)C)N(S(=O)(=O)C)Cc1cc2ccc(cc2[nH]c1=O)C
STK850433
Synonyms: N,1-dibenzyl-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)NCc1ccccc1
STK585882
Synonyms: (3E)-1-(4-chlorophenyl)-3-(2-methylpropylidene)pyrrolidine-2,5-dione
Smiles: CC(/C=C/1\CC(=O)N(C1=O)c1ccc(cc1)Cl)C
STK585884
Synonyms: 10-methyl-2,3-dipropylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCn1c(CCC)nc2c(c1=O)c(=O)c1c(n2C)cccc1
STK585885
Synonyms: 1-ethyl-5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)NCc1cccnc1)c(n2CC)C
STK585887
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-bromopyridin-2-yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Br)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C
STK585891
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
Smiles: COc1ccccc1Oc1cn[nH]c1c1ccc(cc1O)OCc1cccc(c1)Cl
STK850435
Synonyms: 3-amino-N-(2-chloro-5-methoxyphenyl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)c1sc2c(c1N)ccc(n2)c1ccncc1)Cl
STK850436
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1F)N
STK585897
Synonyms: 6'-hydroxy-4-methyl-3'-propyl-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CCCN1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O
STK585899
Synonyms: 4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-(propan-2-yl)-2H-chromen-2-one
Smiles: OCCN1CCN(CC1)Cc1cc(=O)oc2c1cc(cc2)C(C)C
STK585904
Synonyms: 10-(3-methoxyphenyl)-10H-indeno[1,2-d][1,2,4]triazolo[1,5-a]pyrimidin-9-ol
Smiles: COc1cccc(c1)C1n2ncnc2N=C2C1=C(O)c1c2cccc1
STK585907
Synonyms: 4-fluoro-N-(7-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)benzamide
Smiles: COc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1ccc(cc1)F
STK585908
Synonyms: 6-ethyl-10-methyl-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1cccnc1
STK585915
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-chlorophenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)Cl)c([nH]n2)c1cc(Cl)c(cc1O)C
STK850438
Synonyms: 3-(1H-benzimidazol-2-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc2c([nH]1)cccc2
STK585916
Synonyms: 1-[10-(4-methoxyphenyl)-8-methyl-2-(phenoxymethyl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccc(cc1)C1C(=C(C)Oc2c1c1nc(nn1cn2)COc1ccccc1)C(=O)C
STK585918
Synonyms: 2-[(3-{(5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoyl)amino]-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=S)S/C(=C\C=C\c2ccco2)/C1=O
STK850439
Synonyms: (2Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-ylacetate
Smiles: COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)C)Br
STK585925
Synonyms: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
Smiles: O=C1CCCN1CCCNC(=O)c1c2CCCc2nc2c1cccc2
STK850443
Synonyms: 3-(4-tert-butylphenyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cn1ncc2c1ncn1c2nnc1c1ccc(cc1)C(C)(C)C
STK585931
Synonyms: (2E)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)CC(O2)C)/C(=O)NCc1cccnc1
STK850444
Synonyms: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1CCSc1nccc(n1)C)c(=O)n(c(=O)n2C)C
STK585932
Synonyms: (2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methoxyphenyl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C
STK585934
Synonyms: ethyl4-{[(5,6-dimethoxy-1H-indol-2-yl)carbonyl]amino}piperidine-1-carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC(=O)c1cc2c([nH]1)cc(c(c2)OC)OC
STK585935
Synonyms: 6-benzyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(C)c(c2O)Cc1ccccc1
STK585936
Synonyms: N-cyclohexyl-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NC1CCCCC1
STK850448
Synonyms: N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)Nc1cc(C)nc2n1nc(n2)C(F)(F)F
STK585941
Synonyms: 4-(piperazin-1-yl)phenol
Smiles: Oc1ccc(cc1)N1CCNCC1
STK585943
Synonyms: 5-tert-butyl-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-thiol
Smiles: Clc1ccccc1c1cnn2c1nc(cc2S)C(C)(C)C
STK585952
Synonyms: N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-propoxybenzamide
Smiles: CCCOc1cccc(c1)C(=O)Nc1nonc1c1ccc(cc1)OC
STK585953
Synonyms: 7-methyl-14H-chromeno[2',3':4,5]pyrimido[1,6-a]benzimidazol-14-one
Smiles: O=c1c2ccccc2oc2c1c1nc3c(n1c(n2)C)cccc3
STK585957
Synonyms: 7-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1CN1CCN(CC1)c1cc(C)nc2n1ncc2c1ccc(cc1)C)Cl
STK585958
Synonyms: 5-tert-butyl-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(cc(c1)C)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C
STK585963
Synonyms: 6-ethyl-10-methyl-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccccn1
STK850455
Synonyms: 1-benzyl-7-methyl-4-oxo-N-(propan-2-yl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CC(NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C)C
STK585967
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1nnc(s1)C(C)C)O
STK585968
Synonyms: 3-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-5H-[1,2,4]triazino[5,6-b]indole
Smiles: N(=C\c1ccc2c(c1)OCCO2)/Nc1nnc2c(n1)[nH]c1c2cccc1
STK850457
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-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)NC1CCS(=O)(=O)C1
STK585973
Synonyms: 4-methyl-9-(pyridin-3-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1cc(C)c2c(o1)c1CN(COc1cc2)Cc1cccnc1
STK585975
Synonyms: methyl{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2
STK585977
Synonyms: 3-[(3a'S,6a'R)-5'-tert-butyl-5-fluoro-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)Nc1c2cc(F)cc1
STK585979
Synonyms: 2-[(4-methoxyphenoxy)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)COc1ccc(cc1)OC
STK585980
Synonyms: 5-tert-butyl-7-(4-ethylpiperazin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK850458
Synonyms: 2-methoxyethyl1,2-dimethyl-5-[(morpholin-4-ylcarbonyl)oxy]-1H-indole-3-carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)N1CCOCC1)C
STK850459
Synonyms: N-{4-[benzyl(methyl)sulfamoyl]phenyl}-6-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C
STK585984
Synonyms: (2E,5Z)-2-[(2-methylphenyl)imino]-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2ccccc2C)/S/C/1=C\c1cccn1C
STK585987
Synonyms: 5-tert-butyl-7-[4-(4-chlorobenzyl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK585990
Synonyms: 1-{N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl}piperidine-4-carboxylicacid
Smiles: CC([C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O)C
STK585992
Synonyms: 1-[10-(furan-2-yl)-2-(4-methoxyphenyl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1ccc(cc1)c1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C
STK585993
Synonyms: (3S)-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CC([C@@H](C(=O)NC1CCCC1)NC(=O)[C@H]1NCc2c(C1)cccc2)C
STK585995
Synonyms: N-[(4-methylbenzyl)carbamoyl]-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCc1ccc(cc1)C
STK850463
Synonyms: 1-(3-methoxypropyl)-9-methyl-2-(pyrrolidin-1-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCCC1
STK850464
Synonyms: 1-(3-bromophenyl)-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)Br)c(=O)c1c(o2)cccc1
STK850465
Synonyms: 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-ylfuran-2-carboxylate
Smiles: O=C(c1ccco1)Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F
STK586006
Synonyms: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2
STK850466
Synonyms: 2-(4-chlorophenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)c1ccc(cc1)Cl
STK586009
Synonyms: 3-[4-(methoxycarbonyl)phenoxy]-4-oxo-4H-chromen-7-yl2-bromobenzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)c1ccccc1Br
STK586016
Synonyms: 2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4-ol
Smiles: Oc1nc(CN2CCN(CC2)c2ncccn2)nc2c1cccc2
STK586018
Synonyms: 6-ethyl-4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2H-chromen-2-one
Smiles: CCc1ccc2c(c1)c(CN1CCN(CC1)c1ccccc1OC)cc(=O)o2
STK850468
Synonyms: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-(tetrahydrofuran-2-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1OC)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK850469
Synonyms: 5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OCCC(C)C)c([nH]n2)c1ccccc1O
STK850470
Synonyms: (2Z)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(cc1)OC)/C2=O)CC
STK586030
Synonyms: 5-methyl-N-(4-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)Nc1cc(C)nc2n1ncc2c1ccccc1
STK586033
Synonyms: methyl2-amino-4-(3-chlorophenyl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1cccc(c1)Cl)c(O)nc(c2)C
STK586034
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-7-(2-phenylethyl)-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCc1ccccc1)N1CCC(CC1)Cc1ccccc1)O
STK586036
Synonyms: 2-[8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetamide
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(=O)N)c(=O)n(c(=O)n2C)C
STK586041
Synonyms: 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1O)C1N(Cc2ccncc2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK586044
Synonyms: 7-chloro-2-(2-hydroxyethyl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)ccc(c1)Cl
STK586046
Synonyms: 6-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1c(C)nc2n(c1O)nc(c2)C
STK586048
Synonyms: 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1C(C)C)c(=O)n(c(=O)n2C)C
STK586051
Synonyms: N-[3-(4-chlorophenyl)-4-oxo-4H-chromen-2-yl]-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1oc2ccccc2c(=O)c1c1ccc(cc1)Cl
STK586054
Synonyms: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK586057
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3,4-dichlorophenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(c2ccc(c(c2)Cl)Cl)c2c(C1=O)n[nH]c2c1cc(Cl)c(cc1O)C
STK850471
Synonyms: 2-[2-amino-5-(2-bromophenoxy)pyrimidin-4-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc(N)ncc1Oc1ccccc1Br
STK586059
Synonyms: methylN-[(3-acetylphenyl)carbamoyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cccc(c1)C(=O)C)C
STK586060
Synonyms: N-{2-[(4-chlorophenyl)carbonyl]-1-benzofuran-3-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)cccc2
STK586061
Synonyms: (3-chlorophenyl)(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
Smiles: Clc1cccc(c1)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1
STK586062
Synonyms: 4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-6-methyl-2H-chromen-2-one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2
STK850472
Synonyms: 1-(3-methoxypropyl)-9-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCC1CCCO1
STK586063
Synonyms: 2-methyl-12-(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)C
STK586064
Synonyms: 1-benzyl-7-methyl-2-(piperidin-1-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)N1CCCCC1)Cc1ccccc1
STK850473
Synonyms: 1-benzyl-9-methyl-N-(2-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccccc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK850475
Synonyms: 5-(1,3-benzodioxol-5-yl)-7-hydroxy-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: CSc1nc2N=C(O)CC(c2c(=O)[nH]1)c1ccc2c(c1)OCO2
STK586066
Synonyms: 2-(3-hydroxy-4-methoxyphenyl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1ccc(cc1O)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N
STK586071
Synonyms: 2,14-di(pyridin-3-yl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1ccc(cn1)C1c2c(ncn3c2nc(n3)c2cccnc2)Oc2c1ccc1c2cccc1
STK586081
Synonyms: 5-[(2-fluorobenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: [O-]C(=O)c1cc(ccc1[NH+]1CCOCC1)NCc1ccccc1F
STK586083
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1
STK586085
Synonyms: 2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1-[3-(morpholin-4-yl)propyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(CCCN2CCOCC2)c(=N)c(c1)S(=O)(=O)c1ccc(cc1)C
STK586088
Synonyms: (4E)-2-[2-chloro-5-(trifluoromethyl)phenyl]-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1ccc(cc1N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2)C(F)(F)F
STK586092
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: CCOc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)C=C
STK586093
Synonyms: 4-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
Smiles: O=C(Nc1ccc(cc1)OC(F)(F)F)CCCn1cnc2c(c1=O)cccc2
STK586094
Synonyms: N-(4-{[5-tert-butyl-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1cc(nc2n1ncc2c1ccccc1Cl)C(C)(C)C
STK850478
Synonyms: dimethyl5-[(naphtho[2,1-b]furan-1-ylacetyl)amino]benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=O)Cc2coc3c2c2ccccc2cc3)cc(c1)C(=O)OC
STK586103
Synonyms: (2Z)-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]
STK586104
Synonyms: N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-N-methylcyclohexanecarboxamide
Smiles: O=C(N(c1ccc2c(c1)nc1n2CCOC1)C)C1CCCCC1
STK586105
Synonyms: 8-bromo-7-{(2E)-2-[(2Z)-{7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6,7,9-hexahydro-8H-purin-8-ylidene}hydrazinylidene]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1/c(=N\N=C\Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)/[nH]c2c1c(=O)n(c(=O)n2C)C)COc1ccccc1C
STK850479
Synonyms: 2-[(2-methoxybenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)NCc1ccccc1OC
STK586106
Synonyms:
Smiles: CCC([C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)Cl)C
STK850481
Synonyms: 2-amino-5-(3-fluorophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: O=C1Nc2nc(N)nc(c2C(C1)c1cccc(c1)F)O
STK586109
Synonyms: (4E)-4-(2-carbamothioylhydrazinylidene)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylicacid
Smiles: NC(=S)N/N=C/1\CC(C)(C)Cc2c1c(C)c(o2)C(=O)O
STK586120
Synonyms: 2-[2-amino-5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: Fc1ccc(cc1)COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccccc1)C(F)(F)F
STK586121
Synonyms: (E)-N-[(9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]-1-phenylmethanimine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccccc1
STK586129
Synonyms: 7-(3-chloro-4-methylphenyl)-3-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1Cl)n1ncc2c1ncn1c2nnc1CCc1ccccc1
STK586130
Synonyms: 4-tert-butyl-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: Cc1ccc(cc1)c1nonc1NC(=O)c1ccc(cc1)C(C)(C)C
STK586133
Synonyms: N-{7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}glycine
Smiles: OC(=O)CNc1nc2c(n1CC(COc1cccc(c1)C)O)c(=O)n(c(=O)n2C)C
STK586134
Synonyms: N-(2-{7-methoxy-6-[(E)-{2-[(4-methylphenyl)sulfonyl]hydrazinylidene}methyl]-1,3-benzodioxol-5-yl}ethyl)-N-methylacetamide
Smiles: COc1c(/C=N/NS(=O)(=O)c2ccc(cc2)C)c(CCN(C(=O)C)C)cc2c1OCO2
STK586137
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)CC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK850482
Synonyms: 3,5-dimethoxy-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)/N=c/1\[nH]nc(s1)C(C)C
STK850484
Synonyms: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1OC)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK586144
Synonyms: [4-(2-fluorophenyl)piperazin-1-yl](5-methoxy-1,2-dimethyl-1H-indol-3-yl)methanone
Smiles: COc1ccc2c(c1)c(C(=O)N1CCN(CC1)c1ccccc1F)c(n2C)C
STK586151
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
Smiles: Clc1cn2c(nnc2c(c1)C(F)(F)F)CNS(=O)(=O)c1cn(C)c(=O)n(c1=O)C
STK586160
Synonyms: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxypropyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK586162
Synonyms: 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N'-(phenylsulfonyl)butanehydrazide
Smiles: O=C(NNS(=O)(=O)c1ccccc1)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O
STK586169
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1cc(C)cc(c1O)C
STK586172
Synonyms: 7-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C
STL036540
Synonyms: N-cyclohexyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]methanesulfonamide
Smiles: O=c1[nH]c2ccccc2cc1CN(S(=O)(=O)C)C1CCCCC1
STK586183
Synonyms: [4-hydroxy-3-(morpholin-4-ylcarbonyl)-1,1-dioxido-2H-1,2-benzothiazin-2-yl]acetonitrile
Smiles: N#CCN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)N1CCOCC1
STK586187
Synonyms: 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccccc1Cl)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O
STK586190
Synonyms: (5S)-5-(2-methylpropyl)-3-(tetrahydrofuran-2-ylmethyl)imidazolidine-2,4-dione
Smiles: CC(C[C@@H]1NC(=O)N(C1=O)CC1CCCO1)C
STK586192
Synonyms: 4-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-6-(trifluoromethyl)pyrimidin-2-ol
Smiles: Oc1nc(/C=C/c2ccc(cc2)N(C)C)cc(n1)C(F)(F)F
STK586195
Synonyms: 5,7-dimethyl-N-(1-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)NC(c1ccccc1)C
STK586198
Synonyms: 2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: CCc1cc(=O)oc2c1ccc(c2C)OCC(=O)NCc1ccncc1
STK850492
Synonyms: N-[(2Z)-6-chloro-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)cccc3)/[nH]2
STK586202
Synonyms: 1-(4-chlorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentanecarboxamide
Smiles: Clc1ccc(cc1)C1(CCCC1)C(=O)NCCc1nnc2n1cccc2
STK586203
Synonyms: 6-chloro-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-7-methyl-2H-chromen-2-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)C
STK586206
Synonyms: (5Z)-5-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylidene}-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: Brc1ccc(cc1)n1cccc1/C=C/1\SC(=O)N=C1O
STK586209
Synonyms: 2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccc(cc1)C
STK586211
Synonyms: 4-(8,9-dimethylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-N,N-dimethylaniline
Smiles: CN(c1ccc(cc1)c1nn2c(n1)c1c(nc2)oc(c1C)C)C
STK586213
Synonyms: N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-ethylbutanamide
Smiles: CCC(C(=O)/N=c\1/[nH]nc(s1)Cc1ccc(c(c1)OC)OC)CC
STK586214
Synonyms: N-(2-methylphenyl)-4-oxo-1-phenyl-2-(thiophen-3-yl)azetidine-2-carboxamide
Smiles: Cc1ccccc1NC(=O)C1(CC(=O)N1c1ccccc1)c1cscc1
STK586215
Synonyms: 3-(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
Smiles: Oc1cccc(c1)c1nn2c(n1)c1c(nc2C)sc2c1CCCC2
STK586216
Synonyms: N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)-L-valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C
STK586217
Synonyms: 2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NCC1CCCO1
STK586220
Synonyms: N-carbamoyl-4-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
Smiles: NC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\1/C(=NN(C1=O)c1ccccc1)C
STK586221
Synonyms: (2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-3-(4-methoxyphenyl)prop-2-enamide
Smiles: CCc1ccc(cc1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(cc1)OC
STK586222
Synonyms: 7-(2-oxo-2-phenylethoxy)-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: O=C(c1ccccc1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F
STK586227
Synonyms: 8-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(c(c1)C)CN1CCN(CC1)c1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK850495
Synonyms: 2-methyl-3-phenyl-5-propyl-7-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCCC2)n2c(n1)c(c1ccccc1)c(n2)C
STK586229
Synonyms: 2-(2-chloro-7-methoxyquinolin-3-yl)ethylcarbamimidothioate
Smiles: COc1ccc2c(c1)nc(c(c2)CCSC(=N)N)Cl
STK586232
Synonyms: 4-{[(2Z)-3-(3-fluoro-4-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1ccc(c(c1)F)C)CS(=O)(=O)C2
STK850497
Synonyms: 2-(4-ethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
Smiles: CCc1ccc(cc1)OCC(=O)Nc1onc(c1)c1ccccc1
STK850498
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-benzyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1Cc1ccccc1
STK586240
Synonyms: 5-(2,4-dimethoxyphenyl)-7-hydroxy-2-(prop-2-yn-1-ylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: C#CCSc1nc2N=C(O)CC(c2c(=O)[nH]1)c1ccc(cc1OC)OC
STK586242
Synonyms: 5-methyl-6-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1Cc1cccc2c1cccc2)O)C(F)(F)F
STK586243
Synonyms: N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=c\1/[nH]nc(s1)Cc1ccc(c(c1)OC)OC
STK850499
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: O=c1[nH]c2ccccc2cc1CN(S(=O)(=O)c1ccccc1)CC1CCCO1
STK586245
Synonyms: 7-(1H-imidazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1nc2c(c3ccccc3)c(nn2c(c1)n1cncc1)C
STK586246
Synonyms: 5-(4-fluorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Fc1ccc(cc1)c1cc(O)n2c(n1)c(c1ccccc1)c(n2)C
STK586249
Synonyms: 6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)CCn1c(NCCCN2CCOCC2)nc2c1c(O)nc(=O)n2C
STK850501
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2NCC1CCCO1)C(C)(C)C
STK586250
Synonyms: 4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-6-(propan-2-yl)-2H-chromen-2-one
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(cc2)C(C)C
STK586251
Synonyms: 4-hydroxy-2-methyl-N-(pyrimidin-2-yl)-2H-1,2-benzothiazine-3-carboxamide1,1-dioxide
Smiles: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ncccn1
STK850502
Synonyms: 3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CSc1ccc(cc1)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK850503
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)F)N
STK586252
Synonyms: ethyl4-{[(6-methoxy-1H-indol-2-yl)carbonyl]amino}piperidine-1-carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC(=O)c1cc2c([nH]1)cc(cc2)OC
STK586254
Synonyms: N-[4-(acetylamino)phenyl]-5-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O
STK586256
Synonyms: (3R)-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC([C@@H](C(=O)NC1CCCC1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C
STK586258
Synonyms: 5-propyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-amine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCc1ccncc1
STK850504
Synonyms: 2-(2-methoxyethyl)-1'-(prop-2-en-1-yl)-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9(1'H)-trione
Smiles: COCCN1C(=O)c2c(C31C(=O)N(c1c3cccc1)CC=C)c(=O)c1c(o2)cccc1
STK586259
Synonyms: ethyl4-({(4E)-6-amino-4-[(4-ethoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}methyl)piperazine-1-carboxylate
Smiles: CCOc1ccc(cc1)/N=c\1/nc(CN2CCN(CC2)C(=O)OCC)nc([nH]1)N
STK586260
Synonyms: N-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-5-yl)-2-iodobenzamide
Smiles: Oc1nc(=O)[nH]cc1NC(=O)c1ccccc1I
STK586261
Synonyms: 1-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: CCOCCCn1c2nc3ccc(cn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(cc1)C)C
STK586262
Synonyms: N-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)Nc1ccc(cc1)N(C)C
STK850505
Synonyms: 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-[(2-chlorobenzyl)oxy]phenol
Smiles: COc1cccc(c1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccccc1Cl)N
STK586265
Synonyms: N-{[2-(2-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCCc1ccccc1F
STK586266
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK586269
Synonyms: (3S)-N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: COCCCNC(=O)[C@H]1NCc2c(C1)cccc2
STK586271
Synonyms: 6-hydroxy-7-(2-hydroxyethyl)-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(NCCCOC)nc2c1c(O)nc(=O)n2C
STK586273
Synonyms: 3-(butan-2-yl)-6-hydroxy-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: CCC(N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O)C
STK586277
Synonyms: 3-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propan-1-ol
Smiles: OCCCNc1ncnc2c1[nH]c1c2cc(cc1)OCC
STK586278
Synonyms: ethyl4,6-dihydroxy-2-methyl-5-phenylpyridine-3-carboxylate
Smiles: CCOC(=O)c1c(C)nc(c(c1O)c1ccccc1)O
STK586281
Synonyms: 2-(10-fluoro-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F)NCc1ccco1
STK586283
Synonyms: 2-[(4-tert-butylphenoxy)methyl]-8,9-dimethylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1oc2c(c1C)c1nc(nn1cn2)COc1ccc(cc1)C(C)(C)C
STK586288
Synonyms: methyl4-[(2,5-dimethoxyphenyl)carbamoyl]-6-hydroxy-2-methyl-4,5-dihydropyridine-3-carboxylate
Smiles: COc1ccc(c(c1)NC(=O)C1CC(=NC(=C1C(=O)OC)C)O)OC
STK586292
Synonyms: 2-[4-(2-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: COc1ccccc1c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1C
STK586296
Synonyms: 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl{[(4-methylphenyl)sulfonyl]amino}(phenyl)acetate
Smiles: Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)C)c1ccccc1
STK850509
Synonyms: 8-(5-bromo-2-methoxyphenyl)-3-(2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(Br)ccc1OC
STK850510
Synonyms: 2-(1H-benzimidazol-2-yl)-5-(4-fluorophenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Fc1ccc(cc1)c1[nH]n(c(=O)c1)c1nc2c([nH]1)cccc2
STK586301
Synonyms: N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)c1cccc2c1non2)Cc1ccco1
STK850511
Synonyms: 5-butyl-4-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1ccccc1O
STK586305
Synonyms: 2-(4-fluorophenyl)-4-[(4-fluorophenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1)F
STK586307
Synonyms: N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-ethyl-5-methoxy-2-methyl-1H-indole-3-carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)C)c(n2CC)C
STK586313
Synonyms: 4-chloro-N-(2-methoxyethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COCCN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2cccc(c2[nH]c1=O)C
STK586315
Synonyms: 2-[(4,6-dimethylquinazolin-2-yl)amino]-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Oc1nc(nc(c1)CSc1nccc(n1)C)Nc1nc(C)c2c(n1)ccc(c2)C
STK586319
Synonyms: N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]biphenyl-2-carboxamide
Smiles: O=C(c1ccccc1c1ccccc1)NCCc1nnc2n1cccc2
STK586320
Synonyms: N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1)OC)CS(=O)(=O)C2
STK850515
Synonyms: N-{2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1oc2c(c1NC(=O)c1cc(=O)c3c(o1)cccc3)cccc2
STK586325
Synonyms: methyl(8S,8aR,11aS,11bS)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1)cccc3
STK586327
Synonyms: (4Z)-2-(4-methoxyphenyl)-4-[2-(thiophen-2-yl)-4H-chromen-4-ylidene]-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2cccs2)/C(=O)O1
STK586330
Synonyms: N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(cc1F)F
STK850517
Synonyms: N-{2-[(4-fluorophenyl)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(cc1)F
STK586334
Synonyms: 5-methyl-3-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2N1CCN(CC1)c1ccccc1
STK586336
Synonyms: N-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-phenylalanine
Smiles: OC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
STK586341
Synonyms: (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-4-(methylsulfanyl)butanoicacid
Smiles: CSCC[C@H](n1c(O)nc2c(c1=O)cccc2)C(=O)O
STK850519
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: CC(=O)NC1CCS(=O)(=O)C1
STK586344
Synonyms: ethyl2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxylate
Smiles: CCOC(=O)c1oc2c(c1C)c1nc(sc1CC2)C
STK586345
Synonyms: N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: O=C(C(C)C)/N=C/1\SC2C(N1Cc1ccccc1)CS(=O)(=O)C2
STK586347
Synonyms: 8-{[benzyl(methyl)amino]methyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CN(Cc1[nH]c2c(n1)n(C)c(=O)nc2O)Cc1ccccc1
STK586348
Synonyms: 7-methyl-2-[(2-phenoxyethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CN1CCc2c(C1)sc1c2c(N)nc(n1)SCCOc1ccccc1
STK586355
Synonyms: N-[3-(4-benzylpiperidin-1-yl)propyl]-5-(2-chloro-6-fluorobenzyl)-1,3,4-oxadiazole-2-carboxamide
Smiles: O=C(c1nnc(o1)Cc1c(F)cccc1Cl)NCCCN1CCC(CC1)Cc1ccccc1
STK586357
Synonyms: 12-(furan-2-yl)-2-(2-hydroxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c2nc(nn2cn1)c1ccccc1O
STK850520
Synonyms: 2-[2-amino-5-(2-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc(N)ncc1c1ccccc1OC
STK586360
Synonyms: N,N-diethyl-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1)CC
STK850521
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1COc1ccc(cc1)Cl
STK586361
Synonyms: 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide
Smiles: Oc1cc(CN(C(=O)CN2C(=S)S/C(=C\c3ccccc3)/C2=O)C)c2c(n1)cccc2
STK586366
Synonyms: 1-[5-methyl-1-(6-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)-1H-pyrazol-4-yl]ethanone
Smiles: CC(=O)c1cnn(c1C)c1ncnc(c1)Nc1cccc(c1)C(F)(F)F
STK850522
Synonyms: N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)C)Cc1ccco1
STK586369
Synonyms: (2Z)-6-[(2-chlorobenzyl)oxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: CC1Oc2ccccc2C=C1/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccccc1Cl
STK586378
Synonyms: 3-amino-6-(1,3-benzodioxol-5-yl)-N-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccc2c(c1)OCO2)Nc1ccccc1F
STK586380
Synonyms: 1-[(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)amino]propan-2-ol
Smiles: CCN1CCc2c(C1)sc1c2c(NCC(O)C)nc2n1nnn2
STK850524
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(3-chlorobenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1cccc(c1)Cl)N
STK850525
Synonyms: N-[(2E)-6-(dimethylsulfamoyl)-1,3-benzothiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: O=C(c1ccco1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N(C)C
STK586382
Synonyms: N-[(3,4-dimethylphenyl)carbamoyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)Nc1ccc(c(c1)C)C
STK586386
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C
STK586388
Synonyms: N-({1-[N-(tert-butoxycarbonyl)-L-phenylalanyl]piperidin-4-yl}carbonyl)-L-valine
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccccc1
STK586392
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)c(C)cc(c1)C
STK586393
Synonyms: 4-hydroxy-3,6,6-trimethyl-N-(pyridin-3-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)Nc1cccnc1
STK586394
Synonyms: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-indole-2-carboxamide
Smiles: CCN1CCCC1CNC(=O)c1cc2c([nH]1)cc(cc2)OC
STK586395
Synonyms: 1-benzyl4-(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)c1c2CCC1
STK586397
Synonyms: 6-hydroxy-3-methyl-8-(3-methylpiperidin-1-yl)-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: CC1CCCN(C1)c1nc2c(n1CCSc1nccc(n1)C)c(O)nc(=O)n2C
STK586398
Synonyms: 6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: CN1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C
STK850527
Synonyms: (5Z)-5-(2-hydroxybenzylidene)-4-imino-1,3-thiazolidin-2-one
Smiles: O=C1NC(=N)/C(=C/c2ccccc2O)/S1
STK850528
Synonyms: 4-(2-methylphenoxy)-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(/N=c/1\[nH]nc(s1)C)CCCOc1ccccc1C
STK586403
Synonyms: 5-[5-(4-chlorophenyl)pyrazolidin-3-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(cc1)C1NNC(=C2C(=O)N(C)C(=O)N(C2=O)C)C1
STK850529
Synonyms: N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
Smiles: CCCC(=O)Nc1nonc1c1ccccc1
STK586411
Synonyms: 2-fluoro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2F)n2c(n1)ncn2
STK586416
Synonyms: (4-methoxy-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-3-yl)(morpholin-4-yl)methanone
Smiles: CCCN1C(=C(OC)c2c(S1(=O)=O)cccc2)C(=O)N1CCOCC1
STK586418
Synonyms: 6-(propan-2-yl)-1-(pyridin-3-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2Cc1cccnc1)S)C
STK586421
Synonyms: (5Z)-5-{[1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2cc(n(c2C)c2ccccc2O)C)/C(=O)N1C
STK850531
Synonyms: 1-benzyl-N,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C
STK586422
Synonyms: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole
Smiles: Fc1ccc(cc1)N1CCN(CC1)c1ncnc2c1n(C)c1c2cc(cc1)C
STK586423
Synonyms:
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(Cl)cc1C)C(O)C)OC
STK586424
Synonyms: methyl4-({2-methyl-7-[(2-methylbenzyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccccc1C
STK850534
Synonyms: 3,8-bis(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)F)c1ccc(cc1)F
STK586429
Synonyms: 4-(5-chloro-2-methoxyphenyl)-5-(pyrazin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1n1c(=S)[nH]nc1c1cnccn1)Cl
STK850536
Synonyms: ethyl2-amino-1-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccco1
STK586437
Synonyms: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(2-methyl-1H-benzimidazol-1-yl)propan-1-one
Smiles: O=C(N1CCN(CC1)c1cccc(c1C)C)CCn1c(C)nc2c1cccc2
STK586439
Synonyms: 6-(2,4-dichlorophenyl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Smiles: Clc1ccc(c(c1)Cl)N1CC2=C(C1=O)C(NC(=O)N2C)c1cccc(c1)[N+](=O)[O-]
STK586442
Synonyms: 3-(1H-benzimidazol-2-yl)-N-(2-methoxyphenyl)propanamide
Smiles: COc1ccccc1NC(=O)CCc1nc2c([nH]1)cccc2
STK850538
Synonyms: 2-(4-methoxybenzyl)[1,2,4]triazolo[1,5-c]quinazoline
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1ccccc1nc2
STK586445
Synonyms: {(3aR,4R,4aR,7aS,8R,8aR)-5,7-dioxo-3-[(E)-2-phenylethenyl]-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}aceticacid
Smiles: OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2/C=C/c1ccccc1
STK586449
Synonyms: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
Smiles: Clc1ccc(c(c1)Cl)C1=N/C(=C/c2ccc3c(c2)OCO3)/C(=O)N1c1nccs1
STK586450
Synonyms: 3-[8-imino-7-(4-methoxyphenyl)-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]-N,N-dimethylpropan-1-amine
Smiles: COc1ccc(cc1)C1c2c(ncn(c2=N)CCCN(C)C)Oc2c1ccc1c2cccc1
STK586451
Synonyms: 5-tert-butyl-N,3-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C
STK586456
Synonyms: 7-hydroxy-1-methyl-2-(methylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1cc(cc(c1OC)OC)C1CC(=Nc2c1c(=O)nc(n2C)SC)O
STK586462
Synonyms: 1-[10-(furan-2-yl)-8-methyl-2-(4-methylphenyl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: Cc1ccc(cc1)c1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C
STK850541
Synonyms: ethyl(2Z)-2-{[2-(4-methoxyphenoxy)propanoyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N\C(=O)C(Oc2ccc(cc2)OC)C)/[nH]c1C
STK586466
Synonyms: 5-ethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1cc(O)n2c(n1)cc(n2)c1ccc(cc1)C
STK586468
Synonyms: 9-hydroxy-7-(4-methylpiperazin-1-yl)-6,8-diazaspiro[4.5]deca-6,8-diene-10-carbonitrile
Smiles: N#CC1C(=NC(=NC21CCCC2)N1CCN(CC1)C)O
STK586471
Synonyms: N-(3-bromobenzyl)-2-(3,4-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(c(c1)C)C
STK586472
Synonyms: 7-[(4-chlorobenzyl)sulfanyl]-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: Clc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C
STK586475
Synonyms: (3E)-3-{2-oxo-2-[3-(prop-2-en-1-yloxy)phenyl]ethylidene}-1,3-dihydro-2H-indol-2-one
Smiles: C=CCOc1cccc(c1)C(=O)/C=C\1/C(=O)Nc2c1cccc2
STK586476
Synonyms: 2-chloro-N'-{(E)-[1-(2-ethoxyphenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Smiles: CCOc1ccccc1N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)/C1=O)O
STK586480
Synonyms: N-(2-hydroxypyrimido[1,2-a]benzimidazol-4-yl)-3-phenylpropanamide
Smiles: O=C(Nc1cc(O)nc2n1c1ccccc1n2)CCc1ccccc1
STK586482
Synonyms: (5E)-6-hydroxy-3-(2-methylphenyl)-5-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(\NCCN2CCOCC2)/C)/C(=O)N1c1ccccc1C
STK586484
Synonyms: 2-[11-imino-12-(4-methoxyphenyl)-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]-N,N-dimethylethanamine
Smiles: COc1ccc(cc1)C1c2c(ccc3c2cccc3)Oc2c1c(=N)n(cn2)CCN(C)C
STK586485
Synonyms: (4E)-4-{[(2-hydroxyethyl)amino]methylidene}-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C\1/C(=O)N(c2cccc(c2)OC)C(=O)c2c1cccc2
STK586493
Synonyms: 2-cyclohexyl-3-(furan-2-ylmethyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: O=c1c2ccccc2sc2c1c(=O)n(c(n2)C1CCCCC1)Cc1ccco1
STK586498
Synonyms: N-[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(propan-2-yloxy)benzamide(non-preferredname)
Smiles: NNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1ccc(cc1)OC(C)C
STK586500
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NC(c1ccccc1)C)C
STK850544
Synonyms: N-(4-methoxy-3-nitrophenyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1ccc(cc1[N+](=O)[O-])NC(=O)c1cc2c(n1C)nc1n(c2=O)cccc1C
STK586501
Synonyms: N-[(3,5-dichlorophenyl)carbamoyl]-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1cc(Cl)cc(c1)Cl
STK586502
Synonyms: ethyl10-(3,4-dimethoxyphenyl)-2,8-dimethyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccc(c(c1)OC)OC)c1nc(nn1cn2)C
STK850546
Synonyms: methyl4-[7-chloro-2-(3-hydroxypropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)ccc(c1)Cl
STK586505
Synonyms: N-(furan-2-ylmethyl)-2-(6-hydroxy-3-methyl-2-oxo-2,3-dihydro-7H-purin-7-yl)acetamide
Smiles: O=C(Cn1cnc2c1c(O)nc(=O)n2C)NCc1ccco1
STK850547
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
Smiles: CCc1ccc(cc1)OC(C(=O)Nc1nonc1c1ccc(c(c1)OC)OC)C
STK586507
Synonyms: 2-[4-(4-bromophenyl)-3-methyl-1,2-oxazol-5-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: Fc1ccc(cc1)COc1ccc(c(c1)O)c1onc(c1c1ccc(cc1)Br)C
STK586509
Synonyms: 2-[4-(dimethylamino)phenyl]-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: CN(c1ccc(cc1)c1nc2n(n1)cnc1c2C(c2cccnc2)C2=C(O1)CC(CC2=O)(C)C)C
STK586512
Synonyms: 5-{5-[(4-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}pentan-1-amine
Smiles: NCCCCCc1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C
STK850551
Synonyms: (2Z)-2-(3-fluorobenzylidene)-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one
Smiles: CC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)F)/C2=O
STK586530
Synonyms: (5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-hydroxy-3-(prop-2-en-1-yl)-3,5-dihydro-4H-imidazol-4-one
Smiles: C=CCN1C(=N/C(=C\c2ccc(o2)c2cccc(c2)Br)/C1=O)O
STK586536
Synonyms: N-[(4-ethylphenyl)carbamoyl]-L-phenylalanine
Smiles: CCc1ccc(cc1)NC(=O)N[C@H](C(=O)O)Cc1ccccc1
STK586537
Synonyms: 8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Smiles: Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1
STK586539
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)Br
STK586540
Synonyms: N-[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C
STK586544
Synonyms: 5-(2-hydroxyphenyl)-N-{2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1ccccc1O)cccc2
STK586545
Synonyms: 4-{(4Z)-2-methyl-5-oxo-4-[4-(propan-2-yloxy)benzylidene]-4,5-dihydro-1H-imidazol-1-yl}benzoicacid
Smiles: CC(Oc1ccc(cc1)/C=C/1\N=C(N(C1=O)c1ccc(cc1)C(=O)O)C)C
STK586547
Synonyms: ethyl1-acetyl-5-ethyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)CC)C(=O)C
STK586548
Synonyms: {(5S)-3-[2-(2-amino-2-oxoethoxy)phenyl]-5-[(3-chloro-2-methylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccccc1OCC(=O)N)C(=O)Nc1cccc(c1C)Cl
STK889366
Synonyms: 3-[(5-bromopyridin-2-yl)amino]-2-benzofuran-1(3H)-one
Smiles: Brc1ccc(nc1)NC1OC(=O)c2c1cccc2
STK850559
Synonyms: methyl2-{methyl[(2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N(C(=O)c1cc2ccccc2oc1=O)C
STK586558
Synonyms: 6-ethyl-7-hydroxy-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Smiles: CCc1c(C)nc2n(c1O)nc(c2C#N)C
STK586561
Synonyms: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-3-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide
Smiles: O=C(NC1C=CS(=O)(=O)C1)CCN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O
STK586564
Synonyms: propan-2-yl{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)n1c(SCC(=O)OC(C)C)nnc1c1ccccc1F
STK586565
Synonyms: N-[(2Z)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=C/1\SC2C(N1Cc1ccccc1Cl)CS(=O)(=O)C2
STK586570
Synonyms: 1-(2-chlorophenyl)-6-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccccc1Cl)S
STK586572
Synonyms: 2-methoxy-6-{4-[2-methyl-5-(propan-2-yl)phenoxy]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc(Oc2cc(ccc2C)C(C)C)c2c(n1)cccc2
STK850566
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)C(Oc1ccc(cc1)F)C
STK586577
Synonyms: 7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1nn(c(c1)C)c1cc(nc2n1nc(c2c1ccccc1)C)c1ccccc1
STK586579
Synonyms: 1-benzyl-N-(3-ethoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCOCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1
STK586583
Synonyms: 3-benzyl-2-(thiophen-2-yl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: O=c1n(Cc2ccccc2)c(nc2c1c(=O)c1c(s2)cccc1)c1cccs1
STK586587
Synonyms: {4-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}acetonitrile
Smiles: N#CCN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)c1ccccc1
STK586590
Synonyms: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6-chloro-5,7-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc(c(c2C)Cl)C
STK586591
Synonyms: trans-4-({[N-(tert-butoxycarbonyl)-L-alanyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: C[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)OC(C)(C)C
STK586596
Synonyms: (2Z)-1-(4-chlorophenyl)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Smiles: Clc1ccc(cc1)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2
STK586597
Synonyms: 4-amino-N-(2,6-dichlorophenyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(=S)n(c1N)C)Nc1c(Cl)cccc1Cl
STK586599
Synonyms: 4-(bicyclo[2.2.1]hept-2-yl)phenol
Smiles: Oc1ccc(cc1)C1CC2CC1CC2
STK850570
Synonyms: 4-(4-chlorophenyl)-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)Cl
STK586602
Synonyms: 3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccc(cc1)c1c(C)nn2c1nc(C)cc2O
STK586603
Synonyms: 2-amino-5-(4-fluorophenyl)-6-hydroxy-3,5-dihydro-4H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: Fc1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(n2)N)cccc3
STK850571
Synonyms: 2-{[(2Z)-2-(3-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetamide
Smiles: NC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)C)/C2=O
STK586606
Synonyms: 5-cyano-4-(furan-2-yl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(4-sulfamoylphenyl)-1,4-dihydropyridine-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1)S(=O)(=O)N)c1ccco1
STK850572
Synonyms: N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1cccc(c1)CN(C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C)C1CCS(=O)(=O)C1
STK586611
Synonyms: 5-methoxy-N-(3-methoxypropyl)-3-methyl-1H-indole-2-carboxamide
Smiles: COCCCNC(=O)c1[nH]c2c(c1C)cc(cc2)OC
STK586616
Synonyms: 1-tert-butyl4-(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1cc(C)cc2c1c1CCCCc1c(=O)o2
STK586619
Synonyms: 5-[(2-chloro-4-fluorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1cc(ccc1OC)c1cnoc1c1ccc(cc1O)OCc1ccc(cc1Cl)F
STK586620
Synonyms: N,N-dimethyl-N'-(2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
Smiles: CCCc1cc(NCCN(C)C)n2c(n1)c(c1ccccc1)c(n2)C
STK586621
Synonyms: methylN-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C
STK850574
Synonyms: 2-oxo-7-phenyl-1,3-benzoxathiol-5-yl2-methylpropanoate
Smiles: O=C(C(C)C)Oc1cc2sc(=O)oc2c(c1)c1ccccc1
STK586624
Synonyms:
Smiles: CCC([C@H](C(=O)N/N=C/c1cccc2c1nccn2)N)C
STK850575
Synonyms: 3-chloro-4-[(3-chlorophenyl)amino]-1-(4-iodophenyl)-1H-pyrrole-2,5-dione
Smiles: Ic1ccc(cc1)N1C(=O)C(=C(C1=O)Cl)Nc1cccc(c1)Cl
STK586627
Synonyms: N-[2-(dimethylamino)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CN(CCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCCC2)C
STK586634
Synonyms: (5Z)-1-benzyl-5-[5-(thiophen-2-yl)pyrazolidin-3-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)/C(=C\2/NNC(C2)c2cccs2)/C(=O)N1Cc1ccccc1
STK586640
Synonyms: 2-(1,3-benzodioxol-5-yl)-2,3,6,7,11,12-hexahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinolin-4-one
Smiles: O=C1CC(C=C2N1CCc1c2cc2c(c1)OCCCO2)c1ccc2c(c1)OCO2
STK586641
Synonyms: 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-indole-2-carboxamide
Smiles: Brc1ccc2c(c1)c(C)c([nH]2)C(=O)Nc1ccc2c(c1)OCCO2
STK850577
Synonyms: 2-{4-[2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccc(cc1)C)C
STK586648
Synonyms: N-[(3-bromophenyl)carbamoyl]-D-valine
Smiles: O=C(N[C@@H](C(=O)O)C(C)C)Nc1cccc(c1)Br
STK586650
Synonyms: 2-[(dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
Smiles: CCC1(CC)Cc2ccccc2c2c1c(O)nc(n2)CN(C)C
STK850578
Synonyms: 2-[2-amino-5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccccc1)C(F)(F)F
STK586652
Synonyms: 5-formyl-1,4-dimethyl-6-(morpholin-4-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: O=Cc1c(N2CCOCC2)n(C)c(=O)c(c1C)C#N
STK586657
Synonyms: 6,8-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
Smiles: CC1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2C
STK586659
Synonyms:
Smiles: COc1ccc(c(c1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cccc1Cl)C(O)C)OC
STK586661
Synonyms: 2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(pyridin-3-yl)acetamide
Smiles: O=C(Cc1nn2c(n1)nc(cc2C)C)Nc1cccnc1
STK586662
Synonyms: methyl4-(3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1NC(=O)c2c1c(=O)c1c(o2)cccc1
STK586664
Synonyms: 3-[(3-nitrophenyl)amino]-2-benzofuran-1(3H)-one
Smiles: [O-][N+](=O)c1cccc(c1)NC1OC(=O)c2c1cccc2
STK586667
Synonyms: 5-(benzyloxy)-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol
Smiles: COc1cccc(c1)Oc1cncnc1c1ccc(cc1O)OCc1ccccc1
STK586669
Synonyms: 5-[(2-chloro-4-fluorobenzyl)oxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1Cl)F
STK586670
Synonyms: 3-chloro-N-[(2E)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Clc1cccc(c1)C(=O)/N=c/1\[nH]nc(s1)c1ccco1
STK586671
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylicacid
Smiles: CC1CCCN(C1)Cc1c(nnn1c1nonc1N)C(=O)O
STK850580
Synonyms: 2-methyl-3-phenyl-N-(2-phenylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCc2ccccc2)CCCC1
STK850581
Synonyms: N-benzyl-1-(3-methoxypropyl)-9-methyl-4-oxo-N-(propan-2-yl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N(C(C)C)Cc1ccccc1
STK586679
Synonyms: N-[2-hydroxy-1-(2-methoxybenzyl)-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Smiles: COc1ccccc1Cn1c(O)nc(=O)c2c1NC(=O)C2(NC(=O)C)C(F)(F)F
STK586682
Synonyms: 2,4-dichloro-N-(7-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)benzamide
Smiles: COc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1ccc(cc1Cl)Cl
STK586685
Synonyms: 6-hydroxy-3-methyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1
STK586689
Synonyms: 4-[4-(methylsulfanyl)phenyl]-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: CSc1ccc(cc1)C1N=C(N)N=c2n1c1ccccc1[nH]2
STK586692
Synonyms: 5,7-dimethyl-1-(3-phenoxyphenyl)-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(C1c1cccc(c1)Oc1ccccc1)Cc1cccnc1
STK586693
Synonyms: N-[(4E)-2-(1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
Smiles: COc1ccc(c(c1)OC)c1nc(sc1C)/N=c/1\cc(oc2c1cccc2)c1ccc2c(c1)OCO2
STK850582
Synonyms: N'-[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylbenzene-1,4-diamine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2Nc1ccc(cc1)N(C)C
STK586695
Synonyms:
Smiles: CC([C@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)O
STK586697
Synonyms: 2-[2-amino-5-(2-bromophenoxy)-6-methylpyrimidin-4-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc(N)nc(c1Oc1ccccc1Br)C
STK586698
Synonyms: N-[(3-chloro-4-methylphenyl)carbamoyl]-D-valine
Smiles: O=C(N[C@@H](C(=O)O)C(C)C)Nc1ccc(c(c1)Cl)C
STK586699
Synonyms: 6-amino-4-hydroxy-1-(2-phenylethyl)pyrimidin-2(1H)-one
Smiles: Oc1cc(N)n(c(=O)n1)CCc1ccccc1
STK586700
Synonyms: methyl4-[(4-chlorophenyl)carbamoyl]-6-hydroxy-2-methyl-4,5-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)N=C(CC1C(=O)Nc1ccc(cc1)Cl)O
STK586701
Synonyms: 9-(2-chloro-5-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2cc(ccc2Cl)[N+](=O)[O-])ncn3)CCC1
STK850583
Synonyms: N-(2-methoxyphenyl)-N'-{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}ethanediamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)C(=O)Nc1ccccc1OC
STK586707
Synonyms:
Smiles: CCC([C@@H](C(=O)N/N=C/c1ccc2c(n1)ccc(c2)OC)NC(=O)OC(C)(C)C)C
STK586712
Synonyms: ethyl8-methyl-10-phenyl-2-(pyridin-4-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)c1ccncc1
STK586714
Synonyms: 2-(1,3-benzodioxol-5-yl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc2CCn3c(c2cc1OC)cc(c(c3=N)C#N)c1ccc2c(c1)OCO2
STK586715
Synonyms: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-7-methyl-2-oxo-2H-chromen-5-olate
Smiles: CCN1CC[NH+](CC1)Cc1cc(=O)oc2c1c([O-])cc(c2)C
STK586716
Synonyms: 6-chloro-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccc(cc1)c1nn2c(n1)nc(c(c2O)Cl)C
STK586717
Synonyms: 4-(piperazin-1-ylmethyl)-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: O=c1cc(CN2CCNCC2)c2c(o1)cc1c(c2)CCC1
STK586718
Synonyms: (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
STK586719
Synonyms: 1-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)-N-(tetrahydrofuran-2-ylmethyl)propan-2-amine
Smiles: CC(CC1(CCOC(C1)(C)C)c1ccccc1)NCC1CCCO1
STK586724
Synonyms: 5-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
Smiles: CN(C(c1ccco1)CNC(=O)c1oc2c(c1C)cc(cc2)Br)C
STK586725
Synonyms: N-[2-(4-tert-butylphenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2)n2c(n1)nc(n2)c1ccc(cc1)C(C)(C)C
STK586726
Synonyms: methylN-[(2-fluorobenzyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)NCc1ccccc1F
STK586729
Synonyms: 2-(3-hydroxypropyl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)cccc1
STK586730
Synonyms: N-[(4-methylbenzyl)carbamoyl]-D-leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)NCc1ccc(cc1)C)C
STK850589
Synonyms: N-{1,1,1,3,3,3-hexafluoro-2-[(2E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylideneamino]propan-2-yl}benzamide
Smiles: O=C(c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)/N=c\1/sc2c([nH]1)CCCC2
STK850590
Synonyms: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl](morpholin-4-yl)methanone
Smiles: O=C(c1cccnc1c1nc2c(s1)cccc2)N1CCOCC1
STK586733
Synonyms: 6-chloro-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
STK586734
Synonyms: 7'-{(Z)-[4,6-dioxo-1-(propan-2-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\c1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)C(C)C
STK586740
Synonyms: 2-[(5E)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C/c2ccccc2F)/C1=O)NCCc1c[nH]c2c1cccc2