COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STK579299
Synonyms: N-[3-(1H-tetrazol-1-yl)phenyl]pyridine-3-carboxamide
Smiles: O=C(c1cccnc1)Nc1cccc(c1)n1cnnn1
STK579300
Synonyms: (E)-1-(4-chlorophenyl)-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]methanimine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccc(cc1)Cl
STK579301
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2Nc1ccccc1)C(C)(C)C
STK579304
Synonyms: (5Z)-3-cyclohexyl-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)c1ccccc1)C
STK579307
Synonyms: N-(2-chlorophenyl)-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Smiles: Clc1ccccc1Nc1ncnc2c1c(C)c(o2)C
STK579315
Synonyms: 1-(1-{6-[(3-chlorophenyl)amino]pyrimidin-4-yl}-5-methyl-1H-pyrazol-4-yl)ethanone
Smiles: Clc1cccc(c1)Nc1ncnc(c1)n1ncc(c1C)C(=O)C
STK579318
Synonyms: N-[(2-phenylethyl)carbamoyl]-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)NCCc1ccccc1)C
STK849175
Synonyms: 1-(4-methylphenyl)-4-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1,4-dihydropyridazine-3-carboxamide
Smiles: O=C(c1nn(ccc1=O)c1ccc(cc1)C)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
STK579330
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(CCN2C(=O)c3c(C2c2ccc(cc2)F)c([nH]n3)c2cc(Cl)c(cc2O)C)ccc1OC
STK579332
Synonyms: N-cyclopropyl-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NC1CC1
STK579334
Synonyms: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(4-phenoxyphenyl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccc(cc1)Oc1ccccc1
STK579337
Synonyms: N-(2-cyanoethyl)-4,5,6-trimethoxy-N-methyl-1H-indole-2-carboxamide
Smiles: N#CCCN(C(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC)C
STK849178
Synonyms: 2-{3-hydroxy-4-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenoxy}acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1n[nH]cc1c1ccc(cc1)OC
STK849179
Synonyms: 2-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1cc(O)n2c(n1)nc(n2)Cc1ccccc1
STK579339
Synonyms: 2-[(7-ethoxy-4-methylquinazolin-2-yl)amino]-5,6-dimethylpyrimidin-4-ol
Smiles: CCOc1ccc2c(c1)nc(nc2C)Nc1nc(C)c(c(n1)O)C
STK579343
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)Nc1ccccc1C(F)(F)F)C
STK579344
Synonyms: [(5S)-3-(2-chlorophenyl)-5-(cyclohexylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccccc1Cl)C(=O)NC1CCCCC1
STK579345
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc2c(c1)OCCO2)C
STK579347
Synonyms: 4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-2H-chromen-2-one
Smiles: OCCN1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2
STK579349
Synonyms: 5-fluoro-3-hydroxy-3-[2-oxo-2-(pyridin-3-yl)ethyl]-1,3-dihydro-2H-indol-2-one
Smiles: Fc1ccc2c(c1)C(O)(CC(=O)c1cccnc1)C(=O)N2
STK579351
Synonyms: 3,4,5-trimethoxy-N-(5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)Nc1cc(=O)[nH]c2n1ncn2
STK849182
Synonyms: 6-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)ccc(c3)C)sc2c1CCCC2
STK579354
Synonyms: 11-(4-chlorophenyl)-10-methyl-8-phenyl-2-(pyridin-2-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccn1)c1ccccc1
STK849184
Synonyms: ethyl2-(furan-2-yl)-7-hydroxy[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)c1cnc2n(c1O)nc(n2)c1ccco1
STK849185
Synonyms: 7-(4-methylphenyl)-2-(tetrahydrofuran-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)C1CCCO1
STK579357
Synonyms: 3-benzyl-5-(furan-2-yl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c(=N)n(cn1)Cc1ccccc1
STK579358
Synonyms: N-[4-(acetylamino)phenyl]-2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)COc1ccc2c(c1)oc(=O)c(c2C)C
STK579360
Synonyms: 5-methyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-phenyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: C=CCc1c(C)nc2n(c1N1CCN(CC1)CC(=C)C)ncc2c1ccccc1
STK849186
Synonyms: 4-(3-bromophenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)Br)c([nH]n2)c1ccccc1O
STK579368
Synonyms: 5-[5-(furan-2-yl)-3'-(4-methylphenyl)-1'-phenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1cn(nc1c1ccc(cc1)C)c1ccccc1)c1ccco1
STK849187
Synonyms: 8-(2-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1c(OC)ccc2c1cccc2)c1ccc(cc1)OC
STK579373
Synonyms: 1-(3-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(CC(c2ccccc2)O)C(=O)c2c1c(=O)c1c(o2)cccc1
STK579376
Synonyms: 3-(2-hydroxy-4-methylphenyl)-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1H-pyrazole-5-carboxamide
Smiles: CC(Cc1n[nH]/c(=N\C(=O)c2[nH]nc(c2)c2ccc(cc2O)C)/s1)C
STK579377
Synonyms: 10-[4-(dimethylamino)phenyl]-1,3,7,7-tetramethyl-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: CN(c1ccc(cc1)C1OCC(n2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)(C)C)C
STK579379
Synonyms: 3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl2,2-dimethylpropanoate
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)C(C)(C)C
STK579381
Synonyms: 4-{5-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]furan-2-yl}benzenesulfonamide
Smiles: NS(=O)(=O)c1ccc(cc1)c1ccc(o1)/C=N/N=c/1\[nH]c2c([nH]1)cccc2
STK579382
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-4-ol
Smiles: COCc1cc(O)nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK579384
Synonyms: N-(4-chlorophenyl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C
STK579387
Synonyms: 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1cc2CN(CCc2cc1OC)Cc1cc(=O)n2c(n1)c(C)ccc2
STK579389
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1)O
STK579391
Synonyms: 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-[4-(methylsulfanyl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)SC)c(=O)c1c(o2)cc(c(c1)Cl)C
STK579393
Synonyms: 2-[(3-chlorophenoxy)methyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCCc1ccc(cc1)OC)COc1cccc(c1)Cl
STK849188
Synonyms: 3-(4-chlorophenyl)-5-methyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC1CCN(CC1)c1cc(C)nc2n1ncc2c1ccc(cc1)Cl
STK579396
Synonyms: 2-(1,3-benzoxazol-2-ylamino)-4-(4-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: Clc1ccc(cc1)C1N=C(Nc2nc3c(o2)cccc3)N=C2C1=C(O)CC(C2)(C)C
STK849192
Synonyms: 2-methyl-N-[2-(morpholin-4-yl)ethyl]-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCN2CCOCC2)CCCC1
STK579398
Synonyms: 2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl(6-methoxy-1H-indol-2-yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCn2c1nc1c2cccc1
STK579399
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(1-phenylethyl)ethanediamide
Smiles: O=C(C(=O)NCC1COc2c(O1)cccc2)NC(c1ccccc1)C
STK579402
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(3,4-dichlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N
STK579410
Synonyms: 2-(3,4-dichlorophenyl)-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(c(c1)Cl)Cl
STK579413
Synonyms: methylN-[(4-chlorobenzyl)carbamoyl]-D-leucinate
Smiles: COC(=O)[C@H](NC(=O)NCc1ccc(cc1)Cl)CC(C)C
STK579421
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(4-fluorobenzyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Oc1cccc(c1)C1N(Cc2ccc(cc2)F)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK579426
Synonyms: 4-hydroxy-8-(2-methoxyphenyl)-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1ccccc1n1c(C)cn2c1nc1c2c(O)nc(=O)n1C
STK579429
Synonyms: 16-(4-methoxyphenyl)-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Smiles: COc1ccc(cc1)C1C=C2N(C3=C1C(=O)CCC3)CCc1c2cc2OCCCOc2c1
STK579438
Synonyms: N-(cyclopentylcarbamoyl)-L-valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)NC1CCCC1
STK579439
Synonyms: 1-(5-methyl-1-{6-[methyl(phenyl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)ethanone
Smiles: CN(c1ncnc(c1)n1ncc(c1C)C(=O)C)c1ccccc1
STK579440
Synonyms: 3-[2-(3-ethoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCOc1cccc(c1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC
STK579444
Synonyms: 4-{[(2Z)-3-(2-methoxy-5-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: COc1ccc(cc1N1/C(=N/C(=O)CCC(=O)O)/SC2C1CS(=O)(=O)C2)C
STK579447
Synonyms: 4-(4-chlorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1cc(C)cc(c1O)C
STK579448
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-[4-(2-ethoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)C=C
STK849196
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: C=CCc1c(C)nc2n(c1NCCCn1cncc1)ncc2c1ccccc1
STK579450
Synonyms: 1-cyclododecylethanol
Smiles: CC(C1CCCCCCCCCCC1)O
STK579453
Synonyms: 2-(1,3-benzothiazol-2-ylamino)-4-(3-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: Clc1cccc(c1)C1N=C(Nc2nc3c(s2)cccc3)N=C2C1=C(O)CC(C2)(C)C
STK579454
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1N)c1n[nH]c(c1)C
STK579457
Synonyms: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(4-ethenylbenzyl)oxy]phenol
Smiles: C=Cc1ccc(cc1)COc1ccc(c(c1)O)c1ncncc1c1ccc(c(c1)OC)OC
STK849198
Synonyms: 1-benzyl-N-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1
STK579458
Synonyms: 6-hydroxy-1,3,8,8-tetramethyl-5-(4-methylphenyl)-5,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)n(C)c(=O)n2C)(C)C
STK579463
Synonyms: 5-hydroxy-2-phenyl-3-(2-phenylethyl)-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
Smiles: O=C1N(CCc2ccccc2)C(=NC1(O)C(F)(F)F)c1ccccc1
STK579467
Synonyms: 3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propane-1,2-diol
Smiles: OCC(CSc1nc(nc2c1CCC2)c1ccccc1)O
STK579468
Synonyms: 4-[(4-ethylpiperazin-1-yl)methyl]-6,8-dimethyl-2H-chromen-2-one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2C
STK849199
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4-(4-methoxyphenoxy)butanamide
Smiles: COc1ccc(cc1)OCCCC(=O)/N=c\1/sc2c([nH]1)cccc2
STK849200
Synonyms: 8-(2-aminophenyl)-1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Nc1ccccc1n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C
STK579478
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCCc1ccc(cc1)F)C
STK579479
Synonyms: 2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: N=C1N(CC2CCCO2)Cc2c1cccc2
STK579480
Synonyms: 2-hydroxy-1-(4-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)OC)O
STK579481
Synonyms: {[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}aceticacid
Smiles: COc1ccc(cc1)c1nc(SCC(=O)O)c2c(n1)CC(OC2)(C)C
STK579485
Synonyms: N-[2-(morpholin-4-yl)ethyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamide
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)NCCN1CCOCC1
STK579491
Synonyms: 6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4-ol
Smiles: Oc1cc(CSc2nccc(n2)C)nc(n1)Nc1nc(C)c2c(n1)cccc2
STK579495
Synonyms: 1-{1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: CC1OC(C)CN(C1)c1ncnc(c1)n1ncc(c1C)C(=O)C
STK579497
Synonyms: 2-(4-fluorophenyl)-12-(furan-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Fc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2ccco2)c2c(O1)cc(cc2)O
STK849202
Synonyms: (5Z)-3-(4-ethoxyphenyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1,3-thiazolidine-2,4-dione
Smiles: CCOc1ccc(cc1)N1C(=O)S/C(=C\C=C\c2ccco2)/C1=O
STK579503
Synonyms: N-(pyridin-3-ylmethyl)-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)C)NCc1cccnc1
STK579508
Synonyms: 4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7,8-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)c(C)c(cc2)C
STK579509
Synonyms: 4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)ccc1/C=N/n1c(=S)[nH]nc1c1ccccc1F
STK579510
Synonyms: N-cyclohexyl-1-(4-methoxyphenyl)-4-oxo-2-(thiophen-3-yl)azetidine-2-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)CC1(C(=O)NC1CCCCC1)c1ccsc1
STK849205
Synonyms: 4-[4-(propan-2-yl)phenyl]-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: NC1=NC(c2ccc(cc2)C(C)C)n2c(=N1)[nH]c1c2cccc1
STK579515
Synonyms: 7-benzyl-5,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(NCCN1CCOCC1)ncn2)Cc1ccccc1
STK849207
Synonyms: 4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(tetrahydrofuran-2-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Clc1cccc(c1)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK579525
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1N)c1[nH]nc2c1CCC2
STK849208
Synonyms: 3-(2-hydroxyphenyl)-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)c1ccccc1O
STK579528
Synonyms: 6-[2-(benzyloxy)ethyl]-7-methyl-6H-indolo[2,3-b]quinoxaline
Smiles: Cc1cccc2c1n(CCOCc1ccccc1)c1c2nc2c(n1)cccc2
STK579529
Synonyms: 6-chloro-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
STK849209
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)CC1CCCO1
STK849210
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
Smiles: Cc1nc(/N=c/2\sc3c([nH]2)cccc3)nc2c1CCC2
STK579536
Synonyms: 1-{[(2,5-dimethoxyphenyl)amino]methyl}-1H-indole-2,3-dione
Smiles: COc1ccc(c(c1)NCN1C(=O)C(=O)c2c1cccc2)OC
STK579538
Synonyms: N-[(2,4-dimethylphenyl)carbamoyl]valine
Smiles: O=C(Nc1ccc(cc1C)C)NC(C(=O)O)C(C)C
STK849213
Synonyms: 3-ethyl-4-hydroxypyrimido[1,2-a]benzimidazol-2(1H)-one
Smiles: CCc1c(=O)[nH]c2n(c1O)c1ccccc1n2
STK579543
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCN(CC1)CC(=C)C
STK849216
Synonyms: 8-(3-chlorophenyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C
STK579544
Synonyms: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-1-(thiophen-2-yl)ethanone
Smiles: O=C(c1cccs1)/C=C/1\NCCc2c1cc1OCOc1c2
STK579551
Synonyms: 2-{[3-(dimethylamino)propyl]amino}-3-(furan-2-ylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CN(CCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3)C
STK579552
Synonyms: 3-(4-fluorophenoxy)-5-oxo-5H-anthra[1,9-cd][1,2]oxazol-6-yl4-fluorobenzoate
Smiles: Fc1ccc(cc1)OC1=CC(=O)c2c3c1noc3c1c(c2OC(=O)c2ccc(cc2)F)cccc1
STK579553
Synonyms: N-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)c1cc(n(c1C)c1ccccc1OC)C
STK579560
Synonyms: 3-(4-chlorophenyl)-7-methyl-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: CN1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CCN1CCOCC1)c1ccc(cc1)Cl
STK849218
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-3-carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1cccnc1)CC1CCCO1
STK579567
Synonyms: 1-(3,4-dimethoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK579569
Synonyms: 2-(4-fluorophenyl)-11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Fc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1
STK579570
Synonyms: ethyl1-amino-5-(2-methylpropyl)-7,8-dihydro-6H-cyclopenta[d]furo[2,3-b]pyridine-2-carboxylate
Smiles: CCOC(=O)c1oc2c(c1N)c1CCCc1c(n2)CC(C)C
STK579571
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)C)c([nH]n2)c1cc(Cl)c(cc1O)C
STK579572
Synonyms: 5-chloro-1-(4-methoxyphenyl)-3,6-dimethyl-1,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-one
Smiles: COc1ccc(cc1)n1nc(c2c1[nH]c(C)c(c2=O)Cl)C
STK849222
Synonyms: 5-tert-butyl-3-phenyl-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(Nc2ccncc2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK579578
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)c1ccc2c(c1)cccc2
STK579579
Synonyms: 3-{[(Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]amino}benzoicacid
Smiles: OC1=NC(=O)/C(=C\Nc2cccc(c2)C(=O)O)/C(=N1)O
STK579580
Synonyms: 6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)Cn1c(CN2CCOCC2)nc2c1c(O)nc(=O)n2C
STK579581
Synonyms: N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCCC(c1ccco1)c1ccc(cc1)F
STK579582
Synonyms: 4-hydroxy-1,7-dimethyl-8-(4-methylbenzyl)-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Cc1ccc(cc1)Cn1c(C)cn2c1nc1c2c(O)nc(=O)n1C
STK579585
Synonyms: 4-{[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: COc1cccc(c1)N1/C(=N/C(=O)CCC(=O)O)/SC2C1CS(=O)(=O)C2
STK849224
Synonyms: 2-(2-methoxyphenoxy)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
Smiles: COc1ccccc1OCC(=O)Nc1onc(c1)c1ccc(cc1)C
STK579589
Synonyms: tert-butyl(3S)-3-({(2S)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidin-1-yl}carbonyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
STK579590
Synonyms: N-[2-(1H-indol-3-yl)ethyl]-4-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide
Smiles: S=C1S/C(=C\c2ccc(cc2)C(=O)NCCc2c[nH]c3c2cccc3)/C(=O)N1C
STK579591
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
Smiles: CC(Cc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)C
STK579594
Synonyms: [4-(2-fluorophenyl)piperazin-1-yl][4-methyl-3-(1H-pyrrol-1-yl)phenyl]methanone
Smiles: O=C(c1ccc(c(c1)n1cccc1)C)N1CCN(CC1)c1ccccc1F
STK849225
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
STK579596
Synonyms: 8-(3-chlorophenyl)-10-methyl-11-phenyl-2-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1ccccc1)nc(n3)c1cccnc1)C
STK849226
Synonyms: 2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2O)CCC1
STK579601
Synonyms: N-(4-{[(Z)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)methyl]sulfonyl}phenyl)acetamide
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccc(cc1)NC(=O)C
STK579605
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylicacid
Smiles: OC(=O)c1nnn(c1CN1CCN(CC1)Cc1ccccc1)c1nonc1N
STK801761
Synonyms: 1-[2-(ethylsulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
Smiles: CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]
STK579612
Synonyms: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1F)N
STK849231
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-6-methoxy-7-methyl-1-benzofuran-3(2H)-one
Smiles: COc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O
STK849232
Synonyms: N-cyclopentyl-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(NC2CCCC2)n2c(n1)c(c1ccccc1)c(n2)C
STK849233
Synonyms: 7-[2-(4-bromophenyl)-2-oxoethoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one
Smiles: COc1ccccc1c1coc2c(c1=O)ccc(c2)OCC(=O)c1ccc(cc1)Br
STK579623
Synonyms: (3S)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)NC1CC1
STK579627
Synonyms: 2-(methoxymethyl)-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
Smiles: COCc1nn2c(c1c1ccccc1)nc1c(c2O)CCCC1
STK579628
Synonyms: (3R)-2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-(piperidin-1-yl)butan-2-yl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC([C@@H](C(=O)N1CCCCC1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C
STK579630
Synonyms: 12-(furan-2-yl)-2-(2-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccccc1c1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CC(CC2=O)(C)C
STK579632
Synonyms: (4Z)-4-[(4-methylphenyl)imino]-6-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CN1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2)C)/[nH]1
STK579634
Synonyms: 6-(3,4-dimethoxyphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1cc(ccc1OC)n1cc2c(c1c1ccc(cc1)C)c(=O)n(c(=O)n2C)C
STK579638
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-1-(4-fluorophenyl)cyclopentanecarboxamide
Smiles: Fc1ccc(cc1)C1(CCCC1)C(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F
STK849237
Synonyms: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCCO2)c1cccs1
STK579640
Synonyms: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-fluorophenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cc(c(c1)Cl)C
STK579642
Synonyms: 4-({[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)Nc1ccc(c(c1)O)C(=O)O
STK579643
Synonyms: 6-ethyl-2-methyl-4-(4-methylphenyl)pyridazino[3',4':4,5]pyrimido[1,6-a]benzimidazol-1(4H)-one
Smiles: CCc1nc2n(nc(c(=O)c2c2n1c1ccccc1n2)C)c1ccc(cc1)C
STK579644
Synonyms: ethyl(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Smiles: CCOC(=O)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C
STK579645
Synonyms: 7-benzyl-10-fluoro-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: Fc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1ccccc1
STK849239
Synonyms: 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)N=C(CC1c1ccc(cc1)OCc1ccccc1)O
STK579654
Synonyms: 4-[(3,5-dimethylpiperidin-1-yl)methyl]-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: CC1CN(CC(C1)C)Cc1cc(=O)oc2c1cc1CCCc1c2
STK579655
Synonyms: 2-chloro-5-[3-(6-hydroxypyridazin-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: Oc1ccc(nn1)c1n[nH]c(=S)n1c1ccc(c(c1)C(=O)O)Cl
STK579656
Synonyms: 7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)CC1=O)Nc1ccccc1
STK579658
Synonyms: N-(4-methoxyphenyl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C
STK579660
Synonyms: 2-{[3-(4-bromophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}propanoicacid
Smiles: OC(=O)C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Br)C)C
STK849242
Synonyms: 7-(2-ethyl-1H-imidazol-1-yl)-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CCc1nccn1c1cc(nc2n1ncc2c1ccccc1)C(C)C
STK849244
Synonyms: methyl4-[(4-ethoxyphenyl)carbamoyl]-6-hydroxy-2-methyl-4,5-dihydropyridine-3-carboxylate
Smiles: CCOc1ccc(cc1)NC(=O)C1CC(=NC(=C1C(=O)OC)C)O
STK849246
Synonyms: 6-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]nc(s1)C
STK579665
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1cccs1
STK579667
Synonyms: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2F)/C1=O)NC1C=CS(=O)(=O)C1
STK579670
Synonyms: N-[2-(morpholin-4-yl)ethyl]-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide
Smiles: O=C(COc1ccc2c(c1)c1CCCCc1o2)NCCN1CCOCC1
STK579672
Synonyms: (4Z)-4-{[(3-acetylphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C\Nc1cccc(c1)C(=O)C)c1ccccc1
STK849249
Synonyms: 1-benzyl-2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)carbonyl]-7-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)N1COCC1(C)C)Cc1ccccc1
STK579677
Synonyms: 1-(3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(Cc2ccncc2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK579683
Synonyms: (5E)-2-hydroxy-5-{1-[2-(naphthalen-1-yl)hydrazinyl]ethylidene}pyrimidine-4,6(1H,5H)-dione
Smiles: OC1=NC(=O)/C(=C(/NNc2cccc3c2cccc3)\C)/C(=O)N1
STK579684
Synonyms: N-[(2E)-3-(4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-phenylbutanamide
Smiles: COc1ccc(cc1)N1/C(=N\C(=O)CCCc2ccccc2)/SC2C1CS(=O)(=O)C2
STK579686
Synonyms: 6-cyclopentyl-2-hydroxy-1-(2-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C1CCCC1)c1ccccc1C
STK579690
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)c1cccc2c1c1ccccc1C2=O)C
STK579691
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylbenzenesulfonamide
Smiles: O=c1[nH]c2c(cc1CN(S(=O)(=O)c1ccccc1)c1ccccc1)cccc2C
STK579695
Synonyms: 4-(4-chlorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1cc(C)cc(c1O)C
STK579696
Synonyms: 5-[(4-methoxybenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: COc1ccc(cc1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1
STK579699
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylbenzamide
Smiles: Oc1cc(CN(C(=O)c2ccccc2)C)c2c(n1)cccc2
STK579707
Synonyms: methylN-(benzylcarbamoyl)-D-leucinate
Smiles: COC(=O)[C@H](NC(=O)NCc1ccccc1)CC(C)C
STK849254
Synonyms: N-ethyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CCN(S(=O)(=O)c1ccccc1)Cc1cc2ccccc2[nH]c1=O
STK579709
Synonyms: (5E)-2-hydroxy-1-(4-methoxyphenyl)-5-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C(\NCCN2CCNCC2)/C)/C1=O)O
STK579710
Synonyms: N-cyclopropyl-2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)NC1CC1
STK579713
Synonyms: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6,7-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc(c(c2)C)C
STK579715
Synonyms: (2Z)-2-[(2E)-benzylidenehydrazinylidene]-N-(4-ethoxyphenyl)-4-hydroxy-5,6-dihydro-2H-1,3-thiazine-6-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)C1CC(=N/C(=N/N=C/c2ccccc2)/S1)O
STK579716
Synonyms: methyl(1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate
Smiles: CSC(=S)N(C1CCS(=O)(=O)C1)C
STK849255
Synonyms: 3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O
STK849256
Synonyms: 8-(3,4-dimethylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(c(c1)C)C)C
STK579723
Synonyms: 1-[2,10-di(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)c1ccco1
STK579728
Synonyms: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-(phenylsulfonyl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CS(=O)(=O)c1ccccc1
STK579730
Synonyms: 2-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C
STK849259
Synonyms: N-cyclopentyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NC1CCCC1
STK849260
Synonyms: N-benzyl-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NCc1ccccc1
STK579741
Synonyms: 7-(4-phenylpiperazin-1-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Smiles: O=c1cc(nc2n1CCS2)N1CCN(CC1)c1ccccc1
STK579742
Synonyms: 5-benzyl-3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK849261
Synonyms: 7-[(2-chlorobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one
Smiles: Clc1ccccc1CSc1ncc2c(n1)nc(n(c2=O)c1ccccc1)O
STK849262
Synonyms: 3-[(2E)-2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5-ol
Smiles: COc1cc(/C=N/Nc2nnc(c(n2)O)C)cc(c1O)OC
STK579749
Synonyms: (2R)-2-amino-3-methyl-N'-[(E)-quinoxalin-5-ylmethylidene]butanehydrazide(non-preferredname)
Smiles: CC([C@H](C(=O)N/N=C/c1cccc2c1nccn2)N)C
STK579751
Synonyms: 9-(4-fluorophenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)F)C1=C(O)CCCC1=N2
STK579753
Synonyms: 2-[4-(2-bromophenoxy)-3-methyl-1H-pyrazol-5-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: Fc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]nc(c1Oc1ccccc1Br)C
STK579755
Synonyms: propan-2-yl{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)OC(C)C
STK579762
Synonyms: N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1cccc(c1)c1nc2c(o1)cccc2
STK579765
Synonyms: 5-tert-butyl-7-[4-(4-chlorobenzyl)piperazin-1-yl]-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C
STK579767
Synonyms: 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(3-hydroxypropyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK849266
Synonyms: 6-(3-ethoxy-4-hydroxyphenyl)-N-(4-fluorophenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: CCOc1cc(ccc1O)C1NC(=NC(=C1C(=O)Nc1ccc(cc1)F)C)O
STK579773
Synonyms: 3-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O
STK579779
Synonyms: (E)-1-(2-methoxyphenyl)-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]methanimine
Smiles: COc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C
STK579780
Synonyms: 9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Cc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1ncn2
STK579782
Synonyms: 4-(3,4-dichlorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)Cl)Cl)c([nH]n2)c1cc(C)cc(c1O)C
STK849267
Synonyms: 6,8-dimethyl-4-oxo-N-{3-[(pyridin-3-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2
STK579787
Synonyms: (2Z)-1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)/C=C/1\NCCc2c1cc1OCOc1c2
STK849268
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide
Smiles: COc1ccc(cc1OC)c1nonc1NC(=O)COc1ccc(cc1)[N+](=O)[O-]
STK579790
Synonyms: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(O)nc(=O)n2C
STK849269
Synonyms: ethyl2-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C\1/C(=NN(C1=O)c1ccccc1)C
STK579792
Synonyms: ethyl2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1N1CCCCC1CC)n1nc(cc1C)C
STK579794
Synonyms: 2-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]
STK579796
Synonyms: 5-tert-butyl-N-(4-ethoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCOc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C
STK579802
Synonyms: 7-(2-chlorophenyl)-3-(pyridin-4-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1ccncc1
STK579804
Synonyms: 4-[2-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxaline
Smiles: CC(c1ccccc1Oc1nc2ccccc2n2c1nnc2)C
STK849270
Synonyms: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: COc1cc(OC)c(cc1NC(=O)COc1ccc2c(c1)oc(=O)cc2C)Cl
STK579805
Synonyms: N,N-dimethylfuro[2,3-b]quinoxaline-3-carboxamide
Smiles: CN(C(=O)c1coc2c1nc1ccccc1n2)C
STK579810
Synonyms: 2-(4-ethoxyphenyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2
STK579811
Synonyms: 2-(2-hydroxypyrimido[1,2-a]benzimidazol-4-yl)-1H-isoindole-1,3(2H)-dione
Smiles: Oc1cc(N2C(=O)c3c(C2=O)cccc3)n2c(n1)nc1c2cccc1
STK579813
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCOCC1)COc1cccc(c1)C
STK579817
Synonyms: 7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(Cc1nnc(s1)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)C)C
STK579818
Synonyms: 5-methyl-7-(2-methyl-1H-imidazol-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1nc2c(c3ccccc3)c(nn2c(c1)n1ccnc1C)C(F)(F)F
STK579825
Synonyms: 2-(furan-2-yl)-10-methyl-11-(4-methylphenyl)-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccco1)c1ccccc1
STK849275
Synonyms: 2-methoxyethyl5-[(cyclopropylcarbonyl)oxy]-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)C1CC1)C
STK579833
Synonyms: 2-hydroxy-5-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1c1ccc(c(c1)C(=O)O)O
STK579834
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1cc(C)cc(c1O)C
STK579835
Synonyms: 6-cyclopentyl-1-(pyridin-3-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)C1CCCC1)Cc1cccnc1
STK579840
Synonyms: N-{3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}-D-alanine
Smiles: O=C(N[C@@H](C(=O)O)C)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK579847
Synonyms: 6-hydroxy-3-phenyl-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1[nH]cn2)c1ccccc1
STK579851
Synonyms: 7-(2-methoxyethyl)2-methyl5-hydroxyquinoxalino[2',3':4,5]pyrrolo[1,2-a]quinazoline-2,7-dicarboxylate
Smiles: COCCOC(=O)c1c2nc(O)c3c(n2c2c1nc1ccccc1n2)cc(cc3)C(=O)OC
STK579854
Synonyms: 7-(2-methylphenyl)-2-(thiophen-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nc(n1)c1cccs1
STK579859
Synonyms: N-butyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: CCCCNC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1
STK579860
Synonyms: N-[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]-5-(propan-2-yl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)C(C)C)/[nH]2
STK579867
Synonyms: N-(2-methoxyethyl)-2,2-dimethyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: COCCN(C(=O)C(C)(C)C)Cc1cc2ccc(cc2[nH]c1=O)C
STK579869
Synonyms: 2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
Smiles: Cc1nn2c(c1)nc1c(c2O)CCCC1
STK849279
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-5-cyclopropyl-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)C1CC1)N/N=C/c1ccccc1Cl
STK579872
Synonyms: (2E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)benzyl]prop-2-enamide
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C
STK579877
Synonyms: N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1ccc(cc1)OC(F)(F)F
STK579880
Synonyms: 3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: NC(=O)c1sc2c(c1N)c(cc(n2)Cc1ccccc1)C(F)(F)F
STK579881
Synonyms: N-[2-(morpholin-4-yl)ethyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)cc2c1ccccc1)NCCN1CCOCC1
STK579882
Synonyms: 3-(4-fluorophenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: Fc1ccc(cc1)n1c(C)nc2c(c1=O)c(=O)c1c(s2)cccc1
STK579886
Synonyms: (5E)-2,6-dihydroxy-5-[(6-hydroxy-4-oxo-4H-chromen-3-yl)methylidene]pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C/c2coc3c(c2=O)cc(cc3)O)/C(=N1)O
STK849284
Synonyms: 7-(pyridin-3-yl)-9-(trifluoromethyl)thieno[2,3-b:4,5-b']dipyridine-2,4-diol
Smiles: Oc1cc(O)c2c(n1)c1c(s2)nc(cc1C(F)(F)F)c1cccnc1
STK579890
Synonyms: 4-hydroxy-8-(4-methoxyphenyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1ccc(cc1)n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C
STK579891
Synonyms: (4E)-2-(3-chlorophenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1cccc(c1)N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2
STK579892
Synonyms: 6-chloro-2-oxo-4-propyl-2H-chromen-7-ylN-[(4-methylphenyl)sulfonyl]-L-valinate
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C
STK579895
Synonyms: N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccccc1
STK579901
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(furan-2-ylmethyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Oc1cccc(c1)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK579906
Synonyms: N-[6-chloro-3-(4-methylphenyl)-4-oxo-4H-chromen-2-yl]furan-2-carboxamide
Smiles: Cc1ccc(cc1)c1c(NC(=O)c2ccco2)oc2c(c1=O)cc(cc2)Cl
STK579907
Synonyms: 6-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]hexanoicacid
Smiles: OC(=O)CCCCCNc1nc(nc2c1oc1c2cccc1)c1ccccc1
STK849287
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NCCN1CCOCC1
STK579912
Synonyms: N'-{(E)-[4,6-dioxo-2-sulfanyl-1-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Smiles: COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S
STK579917
Synonyms: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(O)nc(=O)n2C
STK849288
Synonyms: 4-(3-chloro-2-methylphenyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1C)n1c(=S)[nH]nc1c1ccncc1
STK579921
Synonyms: 8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Smiles: COc1ccc(cc1)C1C2C(=O)NC(=O)C2Sc2c1sc(=O)[nH]2
STK579924
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1c(OC)c(OC)ccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1Cl
STK579926
Synonyms: 6-{[(4-methylphenyl)sulfanyl]methyl}-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
Smiles: CN1CCN(CC1)c1nc(CSc2ccc(cc2)C)cc(n1)O
STK579928
Synonyms: 6,8-dichloro-3-(ethylsulfanyl)[1,2,4]triazolo[4,3-a]pyridine
Smiles: CCSc1nnc2n1cc(Cl)cc2Cl
STK579929
Synonyms: 5-(4-fluorophenyl)-4-{[(E)-pyridin-3-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccnc1
STK579930
Synonyms: 5-(2-chloro-6-fluorobenzyl)-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1,3,4-oxadiazole-2-carboxamide
Smiles: COc1ccc(cc1)N1CCN(CC1)CCNC(=O)c1nnc(o1)Cc1c(F)cccc1Cl
STK579931
Synonyms: N-[(2E)-5-{[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylpropanamide
Smiles: O=C(Nc1ccc2c3c1cccc3CC2)CSc1n[nH]/c(=N\C(=O)CCc2ccccc2)/s1
STK579933
Synonyms: 1,3-dimethyl-5-phenyl-10-[(E)-2-phenylethenyl]-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: O=c1n(C)c(=O)c2c(n1C)c1C(OCCn1c2c1ccccc1)/C=C/c1ccccc1
STK849292
Synonyms: methyl2-amino-1-butyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC
STK849294
Synonyms: 5-(4-chlorophenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: CSc1nc(=O)c2c(n1C)N=C(CC2c1ccc(cc1)Cl)O
STK849295
Synonyms: 1-benzyl-4-oxo-N-(pyridin-3-yl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)Nc1cccnc1
STK579942
Synonyms: N'-[(E)-(6-chloro[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]pyridine-4-carbohydrazide
Smiles: Clc1nc2cc3OCOc3cc2cc1/C=N/NC(=O)c1ccncc1
STK849296
Synonyms: 2-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-6,8-dimethyl-4H-chromen-4-one
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C
STK579945
Synonyms: 2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)-N-(2-phenylethyl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)NCCc1ccccc1
STK579950
Synonyms: N'-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1cc(nc(n1)n1nc(cc1C)C)c1ccccc1)C
STK579951
Synonyms: (5-chloro-1H-indol-2-yl)[4-(3-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl
STK579952
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1cc(C)cc(c1O)C
STK579958
Synonyms: 7-ethyl-N~5~-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Smiles: CCN1CCc2c(C1)c(NCc1ccco1)nc1c2c(N)n[nH]1
STK579959
Synonyms: 7-chloro-1-(4-fluorophenyl)-2-(4-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl
STK579963
Synonyms: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-4-ylmethyl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NCc1ccncc1
STK579964
Synonyms: 4-(4-methoxyphenyl)-3-[(2-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1ccccc1C)COc1ccc(cc1)C
STK579967
Synonyms: 1-{[5-(4-fluorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methyl}-1H-indole-2,3-dione
Smiles: COc1cccc(c1)C1=NN(C(C1)c1ccc(cc1)F)CN1c2ccccc2C(=O)C1=O
STK579971
Synonyms: N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl
STK849298
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2NCCCn1cncc1
STK579974
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1cc([nH]n1)c1cc(C)ccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
STK579981
Synonyms: (5E)-3-(3-chlorophenyl)-2-hydroxy-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1ccc(cc1)n1cccc1/C=C\1/N=C(N(C1=O)c1cccc(c1)Cl)O
STK579982
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C)C
STK579984
Synonyms: 4-chloro-N-[(2-hydroxyquinolin-4-yl)methyl]-N-(4-methylphenyl)benzamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccc(cc1)Cl)Cc1cc(O)nc2c1cccc2
STK579987
Synonyms: (6E)-6-[2-(4-methylphenyl)hydrazinylidene]-6-(pyridin-2-yl)hexanoicacid
Smiles: OC(=O)CCCC/C(=N\Nc1ccc(cc1)C)/c1ccccn1
STK579989
Synonyms: 10-methyl-2-(3-methylphenyl)-8-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: Cc1cccc(c1)c1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)n(nc2C)c1ccccc1
STK579990
Synonyms: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK579991
Synonyms: N-(2-benzyl-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methylbenzamide
Smiles: Oc1cc(NC(=O)c2ccccc2C)n2c(n1)nc(n2)Cc1ccccc1
STK849302
Synonyms: 2-{2-[4-(1-phenylethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Smiles: S=c1[nH]nc(n1C(c1ccccc1)C)CCn1ncc2c(c1=O)cccc2
STK579996
Synonyms: 6-chloro-N-[4-(difluoromethoxy)phenyl]-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: FC(Oc1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C)F
STK579997
Synonyms: 2-[(4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)cc(=O)o2)NCc1ccccn1
STK579999
Synonyms: 3'-(4-methoxyphenyl)-2-(methylsulfonyl)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
Smiles: COc1ccc(cc1)c1nn(cc1C1CC(=NN1S(=O)(=O)C)c1cccs1)c1ccccc1
STK580000
Synonyms: N-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
Smiles: O=C(C(C)C)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C
STK580001
Synonyms: N-({(2E)-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetyl)glycine
Smiles: O=C(CC1S/C(=N/N=C/c2ccccc2O)/NC1=O)NCC(=O)O
STK580006
Synonyms: 1-(3-chlorophenyl)-3-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)urea
Smiles: O=C(NN1CCc2c1nc1cc(C)ccc1c2)Nc1cccc(c1)Cl
STK580010
Synonyms: 4-amino-3-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: CNC(=O)c1c(sc2c1CCCC2)NC(=O)c1sc(=S)n(c1N)C
STK580012
Synonyms: ethyl[5-oxo-2-phenyl-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)Cc1cccnc1)c1ccccc1)C(F)(F)F
STK580018
Synonyms: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-N-(furan-2-ylmethyl)ethanamide
Smiles: O=C(/C=C/1\NCCc2c1cc1OCOc1c2)NCc1ccco1
STK849305
Synonyms: 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S
STK580022
Synonyms: 2-[(2E)-2-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)hydrazinyl]benzoicacid
Smiles: N#CC1=C(C)/C(=N\Nc2ccccc2C(=O)O)/C(=O)N=C1O
STK580023
Synonyms: methylN-{[4-(acetylamino)phenyl]carbamoyl}-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)NC(=O)C)CC(C)C
STK580024
Synonyms: 4-{[(3Z)-8-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-4-oxobutanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1c(C)cccc1c2
STK580026
Synonyms: 4-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1c1ccc(cc1)C(=O)O
STK580034
Synonyms: 6-(2-chlorobenzyl)-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1Cc1ccccc1Cl)O)C(F)(F)F
STK580035
Synonyms: methylN-({5-[(furan-2-ylcarbonyl)amino]-2-methoxyphenyl}carbamoyl)-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc(ccc1OC)NC(=O)c1ccco1)C
STK580038
Synonyms: 3-cyclopentyl-N-[(2Z)-3-(2-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: COc1ccccc1CN1/C(=N/C(=O)CCC2CCCC2)/SC2C1CS(=O)(=O)C2
STK580046
Synonyms: N-(2,6-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1Cc1ccco1)COc1ccccc1
STK580049
Synonyms: (3-ethoxy-3-oxopropyl)(1-hydroxy-1-phenylethyl)phosphinicacid
Smiles: CCOC(=O)CCP(=O)(C(c1ccccc1)(O)C)O
STK580055
Synonyms: 2-(4-methoxyphenyl)-5,6,10,11-tetrahydro-9H-[1,4]dioxepino[2,3-g]pyrrolo[2,1-a]isoquinoline
Smiles: COc1ccc(cc1)c1cn2c(c1)c1cc3OCCCOc3cc1CC2
STK849310
Synonyms: 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)/C=C\1/Oc2c(C1=O)cccc2
STK580056
Synonyms: N-[(2E)-6-(acetylamino)-1,3-benzothiazol-2(3H)-ylidene]-3,6-dichloro-1-benzothiophene-2-carboxamide
Smiles: CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1sc3c(c1Cl)ccc(c3)Cl)/[nH]2
STK580060
Synonyms: (2S)-N-(4-methoxyphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C(C)C
STK580062
Synonyms: 10-(4-hydroxyphenyl)-1,3,7,7-tetramethyl-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: Oc1ccc(cc1)C1OCC(n2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)(C)C
STK580064
Synonyms: 4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1cc1CCCc1c2
STK580065
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)O
STK849312
Synonyms: ethyl4-[(5,7,8-trimethyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1cc(=O)oc2c1c(C)cc(c2C)C
STK580066
Synonyms: 11-(furan-2-yl)-10-methyl-8-phenyl-2-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1cccnc1)c1ccccc1
STK580071
Synonyms: 8-(3-chlorophenyl)-1-methyl-3-propyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl
STK580073
Synonyms: 3-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-5-methoxy-1H-indole-2-carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1ccc(c(c1)C)F)c([nH]2)C(=O)O
STK580075
Synonyms: N-[(4-ethoxyphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)OCC
STK580076
Synonyms: 9,10-dimethoxy-2-({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}amino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(NCCN2CCN(CC2)C(=O)c2ccccc2)nc1=O
STK580082
Synonyms: N'-[5,6-di(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1)C
STK849314
Synonyms: 1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1
STK849315
Synonyms: 3-(furan-2-ylmethyl)-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)Cc1ccco1
STK580084
Synonyms: {(5S)-5-[(4-methoxyphenyl)carbamoyl]-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: COc1ccc(cc1)NC(=O)[C@@]1(ON=C(C1)/C=C/c1ccccc1)CC(=O)O
STK849316
Synonyms: 1-benzyl-7-methyl-4-oxo-N-propyl-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C
STK849317
Synonyms: N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide
Smiles: COc1cc(ccc1OC)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=O)(=O)C1
STK580094
Synonyms: N'-(2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylethane-1,2-diamine
Smiles: CCc1nn2c(c1c1ccccc1)nc(cc2NCCN(C)C)C
STK580098
Synonyms: 4-[(3aR,6aS)-3-(4-chlorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)Cl
STK580099
Synonyms: trans-4-({[N-(tert-butoxycarbonyl)-L-phenylalanyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)O
STK580100
Synonyms: 2-[({4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}carbonyl)amino]-5-hydroxybenzoicacid
Smiles: O=C1NC(=O)/C(=C/c2ccc(cc2)C(=O)Nc2ccc(cc2C(=O)O)O)/S1
STK580102
Synonyms: 4-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,5-dioxaspiro[5.5]undec-3-en-2-one
Smiles: OC1=C(C(=O)OC2(O1)CCCCC2)C1NCCc2c1cccc2
STK580116
Synonyms: (2Z)-3-(4-methyl-3-nitrophenyl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])C)/c1scc(n1)c1cc2ccccc2oc1=O
STK580117
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
Smiles: Oc1cc(ccc1c1ncnc(c1c1ccccc1)C(F)(F)F)OCc1ccccc1F
STK580118
Synonyms: (4E)-2-(4-bromophenyl)-4-(furan-2-ylmethylidene)-4H-imidazol-5-ol
Smiles: Brc1ccc(cc1)C1=N/C(=C/c2ccco2)/C(=N1)O
STK580119
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)CC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK580122
Synonyms: 3-amino-N-(3,4-dimethoxybenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: COc1ccc(cc1OC)CNC(=O)c1sc2c(c1N)c(c1c(n2)CCC1)C(F)(F)F
STK580123
Synonyms: N-cyclooctyl-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NC1CCCCCCC1
STK580124
Synonyms: N-{3-[(furan-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2
STK849323
Synonyms: 3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-4H-chromen-4-one
Smiles: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)O
STK849325
Synonyms: N-(butan-2-yl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(NC(CC)C)n2c(n1)c(c1ccccc1)c(n2)C
STK849326
Synonyms: 3-benzyl-8-(3,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)OC)Cc1ccccc1
STK580130
Synonyms: 7-chloro-2-(2-chlorobenzyl)-1-(3-hydroxyphenyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK849327
Synonyms: 3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)C)CC
STK580133
Synonyms: 7-bromo-2-(4-methylpyridin-2-yl)-1-(3-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccnc(c1)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)Br
STK580135
Synonyms: 3-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5-ol
Smiles: Oc1ccc(cc1/C=N/Nc1nnc(c(n1)O)C)[N+](=O)[O-]
STK849328
Synonyms: N-(3-methoxyphenyl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: COc1cccc(c1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK849330
Synonyms: 1-(3-methylphenyl)-4-oxo-N-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1cccnc1
STK580136
Synonyms: N-[(3,4-dimethoxyphenyl)carbamoyl]-L-alanine
Smiles: COc1cc(ccc1OC)NC(=O)N[C@H](C(=O)O)C
STK580139
Synonyms: 2-(2-hydroxyphenyl)-12-(2-methoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c1nc(nn1cn2)c1ccccc1O)O
STK849331
Synonyms: (5Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(morpholin-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)N1CCOCC1
STK580140
Synonyms: 5-[(4-chlorobenzyl)oxy]-2-[4-(3-methoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1cccc(c1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)Cl
STK580142
Synonyms: (3R,3'R,3a'S,6a'R)-5'-(4-chlorophenyl)-3'-(hydroxymethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: OC[C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1
STK580144
Synonyms: 1H-indol-5-ol
Smiles: Oc1ccc2c(c1)cc[nH]2
STK580145
Synonyms: 7-methoxy-2-methyl-4-[2-(piperidin-1-yl)ethyl]-4H-[1,3]thiazolo[5,4-b]indole
Smiles: COc1ccc2c(c1)c1nc(sc1n2CCN1CCCCC1)C
STK580148
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide
Smiles: O=C(Nc1nonc1c1ccc(cc1)Cl)COc1ccc(cc1)[N+](=O)[O-]
STK580151
Synonyms: N-cyclohexyl-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: Cc1cc(NC2CCCCC2)n2c(n1)c1c(C)cc(nc1n2)C
STK580153
Synonyms: 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1cn[nH]c1c1ccc(cc1O)OCc1ccccc1F
STK580157
Synonyms: 4-(3-chlorophenyl)-1-(ethylsulfanyl)-8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CCN(C3)C
STK580160
Synonyms: 2-amino-5-(4-ethoxyphenyl)-6-hydroxy-3,5-dihydro-4H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCOc1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(n2)N)cccc3
STK580163
Synonyms: N'-[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1cc(C)nc2n1ncc2c1ccc(cc1)Cl)C
STK580168
Synonyms: 2-[(6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
Smiles: O=C(C(Oc1cc2oc(=O)c(c(c2cc1Cl)C)C)C)NCc1ccccn1
STK849340
Synonyms: N-(3-chlorophenyl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Clc1cccc(c1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK849341
Synonyms: 4-[(2-methoxyethyl)sulfanyl]-7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: COCCSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C
STK849342
Synonyms: 3-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NCc1cccnc1
STK580176
Synonyms: 2-(morpholin-4-ium-4-yl)-5-[(thiophen-2-ylmethyl)amino]benzoate
Smiles: [O-]C(=O)c1cc(ccc1[NH+]1CCOCC1)NCc1cccs1
STK580180
Synonyms: 2-hydroxy-3-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]quinazolin-4(3H)-one
Smiles: O=C([C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2)N1CCCCC1
STK580182
Synonyms: tert-butyl{(1S)-1-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfonyl)-1,3,4-oxadiazol-2-yl]-3-methylbutyl}carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)CC(=O)Nc1cccc(c1C)Cl)NC(=O)OC(C)(C)C)C
STK849343
Synonyms: (2Z)-2-(3-chlorobenzylidene)-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one
Smiles: CC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)Cl)/C2=O
STK849345
Synonyms: ethyl6-bromo-5-[(ethoxycarbonyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)Oc1cc2c(cc1Br)oc(c2C(=O)OCC)C
STK580193
Synonyms: N-(2-hydroxyethyl)-2-methyl-5-(3-propyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
Smiles: CCCc1nnc2n1nc(c1ccc(c(c1)S(=O)(=O)NCCO)C)c1c2cccc1
STK580196
Synonyms: N-(2-chloro-6-fluorobenzyl)-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NCc1c(F)cccc1Cl
STK580201
Synonyms: (1R,2S)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)cyclohexanecarboxylicacid
Smiles: OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC2(CC1)OCCO2
STK580202
Synonyms: 5-bromo-3-methyl-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: Brc1ccc2c(c1)c(C)c([nH]2)C(=O)NCC1CCCO1
STK580204
Synonyms: 6-ethyl-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine
Smiles: CCc1sc2c(c1)c(nc(n2)C)N1CCN(CC1)C
STK580209
Synonyms: 6-amino-1-(2-chlorobenzyl)-2-sulfanylpyrimidin-4(1H)-one
Smiles: O=c1cc(N)n(c(n1)S)Cc1ccccc1Cl
STK580215
Synonyms: N-(3,4-dimethylphenyl)-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccc(c(c1)C)C
STK849350
Synonyms: 2-(4-chlorophenyl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)acetamide
Smiles: O=C(Nc1nonc1c1ccccc1)Cc1ccc(cc1)Cl
STK580220
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(4-ethoxybenzylidene)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCOc1ccc(cc1)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
STK580222
Synonyms: 2-{[4-amino-5-(5-phenyl-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)c1ccccc1
STK849352
Synonyms: 1-benzyl-4-oxo-N-[4-(propan-2-yl)phenyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CC(c1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)C
STK580230
Synonyms: 7-benzyl-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: O=c1c2c(nc3n1CCCS3)c1c(n2Cc2ccccc2)cccc1
STK580231
Synonyms: 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindol-1-one
Smiles: O=C(N1CCc2c(C1)cccc2)CC1NC(=O)c2c1cccc2
STK580234
Synonyms: 2-hydroxy-5-({[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)C(=O)O)O
STK580236
Synonyms: (1Z)-1-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: O=C1N=C(/C(=C\2/C(=O)N3c4c2cccc4C(CC3(C)C)C)/S1)O
STK849358
Synonyms: 1-[6-(2,4-dimethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidin-5-yl]ethanone
Smiles: COc1cc(OC)ccc1C1NC(=NC(=C1C(=O)C)C)S
STK849359
Synonyms: 4-amino-2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]pyrimidine-5-carbonitrile
Smiles: N#Cc1cnc(nc1N)/N=c/1\oc2c([nH]1)cccc2
STK580240
Synonyms: 7-(4-methylphenyl)-3-(pyridin-3-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1cccnc1
STK849362
Synonyms: ethyl6-[4-(dimethylamino)phenyl]-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(C)N=C(NC1c1ccc(cc1)N(C)C)S
STK580250
Synonyms: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6-ethyl-2H-chromen-2-one
Smiles: CCc1ccc2c(c1)c(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(=O)o2
STK849363
Synonyms: 3-amino-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: Cc1cs/c(=N\C(=O)c2sc3c(c2N)c(c2c(n3)CCC2)C(F)(F)F)/[nH]1
STK580252
Synonyms: 4-{[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)O
STK849365
Synonyms: N-[(2Z)-6-fluoro-1,3-benzothiazol-2(3H)-ylidene]-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Fc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)c(C)c(cc3)C)/[nH]2
STK849366
Synonyms: ethyl4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1O)ccc(c2)C(F)(F)F
STK849367
Synonyms: 4-(4-fluorophenyl)-6-hydroxy-2-(propylsulfanyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)F
STK580259
Synonyms: 3,4-dimethoxy-N-[3-(4-methylphenyl)-4-oxo-4H-chromen-2-yl]benzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1oc2ccccc2c(=O)c1c1ccc(cc1)C
STK580261
Synonyms: 6-chloro-N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
STK849368
Synonyms: 1-(3-methoxypropyl)-9-methyl-2-[(4-phenylpiperazin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCN(CC1)c1ccccc1
STK580263
Synonyms: 2-(4-ethylpiperazin-1-yl)-N-[(2E)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: CCN1CCN(CC1)CC(=O)/N=c\1/sc2c([nH]1)ccc(c2)C
STK580264
Synonyms: 6-(butan-2-yl)-2-hydroxy-1-(4-methylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCC(N1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)C)O)C
STK580270
Synonyms: 3,3'-(pyridin-3-ylmethanediyl)diquinoline-2,4-diol
Smiles: Oc1nc2ccccc2c(c1C(c1c(O)nc2c(c1O)cccc2)c1cccnc1)O
STK580271
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1cc(ccc1OC)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1Cl
STK580276
Synonyms: 3-(4-fluorophenyl)-5-oxo-2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-5-(thiophen-2-yl)pentanenitrile
Smiles: N#CC(C(c1ccc(cc1)F)CC(=O)c1cccs1)C1=NC(=O)CS1
STK849371
Synonyms: (2Z)-2-(2,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(cc1OC)OC)/C2=O)CC
STK849372
Synonyms: 3-butyl-4-hydroxy-8-methyl-2H-pyrido[1,2-a]pyrimidin-2-one
Smiles: CCCCc1c(=O)nc2n(c1O)ccc(c2)C
STK580282
Synonyms: 2-(2-methoxyphenyl)-12-(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccccc1c1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)cc(cc2)O
STK580283
Synonyms: 6,7-dimethoxy-1-methyl-2-(4-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)Cc1ccc(cc1)C
STK580285
Synonyms: 7-(2-chlorophenyl)-3-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccccc1Cl
STK849373
Synonyms: 3-phenyl-N-[(2E)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]propanamide
Smiles: O=C(/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N)CCc1ccccc1
STK580286
Synonyms: (5E)-2,6-dihydroxy-5-[1-(piperidin-1-ylamino)ethylidene]pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(/NN2CCCCC2)\C)/C(=N1)O
STK580288
Synonyms: (5Z)-6-hydroxy-5-(1-{[1-(1H-indol-3-yl)butan-2-yl]amino}ethylidene)-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(/NC(Cc2c[nH]c3c2cccc3)CC)\C)/C1=O)O
STK580289
Synonyms: 2-(2-chlorophenoxy)-N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=c\1/[nH]nc(s1)c1ccco1)COc1ccccc1Cl
STK580293
Synonyms: 2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4H-1,3-benzoxazin-4-one
Smiles: O=C1NC(Oc2c1cccc2)c1ccc(cc1)C(F)(F)F
STK580298
Synonyms: (2E,5Z)-2-(pyridin-3-ylimino)-5-(thiophen-2-ylmethylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2cccnc2)/S/C/1=C\c1cccs1
STK849375
Synonyms: 6-ethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-4H-chromene-2-carboxamide
Smiles: CCc1ccc2c(c1)c(=O)cc(o2)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
STK580302
Synonyms: N-(3-bromobenzyl)-2-(4-chloro-2-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: Clc1ccc(c(c1)C)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK580303
Synonyms: 1-(4-tert-butylphenyl)-7-chloro-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: O=C1N(Cc2cccnc2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1ccc(cc1)C(C)(C)C
STK580310
Synonyms: 2-{8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
Smiles: CCN1CCN(CC1)Cc1nc2c(n1CC(=O)N)c(=O)n(c(=O)n2C)C
STK849377
Synonyms: 6-phenyl-2-(piperidin-1-yl)pyrimidin-4-ol
Smiles: Oc1nc(nc(c1)c1ccccc1)N1CCCCC1
STK580315
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1cccc(c1)Cl
STK580318
Synonyms: 2-[5-(3,4-dichlorophenyl)furan-2-yl]-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(o1)c1ccc(c(c1)Cl)Cl
STK580320
Synonyms: 11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Smiles: Cc1ccnc2c1[nH]c(=O)c1c(n2C2CC2)nccc1
STK580323
Synonyms: 2-(2-fluorophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: O=C(C1N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1F)c1ccccc1
STK580327
Synonyms: 2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
STK580334
Synonyms: N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)NCc1ccco1
STK580336
Synonyms: ethyl1-amino-8,8-dimethyl-5-propyl-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)CCC
STK580338
Synonyms: 1-(2,3-dimethylphenyl)-6-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1cccc(c1C)C)S
STK849379
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(2-chlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1Cl)N
STK580340
Synonyms: 7-methyl-3-pentyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCCCCn1cnc2c(c1=O)[nH]c1c2ccc(c1)C
STK849380
Synonyms: (4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(tetrahydrofuran-2-ylmethyl)pyrrolidine-2,3-dione
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/O)/C(N1CC1CCCO1)c1ccccc1
STK580341
Synonyms: N-{3-[(furan-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)O
STK580342
Synonyms: N-(4-fluorophenyl)-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Smiles: Fc1ccc(cc1)Nc1ncnc2c1c(C)c(o2)C
STK580343
Synonyms: 2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1-(4-methylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C)c(=O)c1c(o2)c(C)cc(c1)C
STK580347
Synonyms: 2-[7-(3,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nnc2n1cnc1c2cnn1c1ccc(c(c1)C)C
STK580354
Synonyms: 2-{[4-amino-5-(5-methyl-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)C
STK849382
Synonyms: 3-(2,4-dimethoxyphenyl)-8-(3-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)F)c1ccc(cc1OC)OC
STK580355
Synonyms: 2-methoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)acetamide
Smiles: COCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC(C)C
STK849383
Synonyms: 3-(2-methoxyphenyl)-5-methyl-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NCCN1CCOCC1
STK580360
Synonyms: 9-(pyridin-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccn2)ncn3)CCC1
STK849385
Synonyms: 4-hydroxy-1,3-dimethyl-7-(pyridin-4-yl)-5,5-bis(trifluoromethyl)-3,5-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: Cn1c(O)c2c(=NC(=NC2(C(F)(F)F)C(F)(F)F)c2ccncc2)n(c1=O)C
STK580366
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[5-(4-methoxyphenoxy)pyrimidin-4-yl]phenol
Smiles: COc1ccc(cc1)Oc1cncnc1c1ccc(cc1O)OCc1cccc(c1)Cl
STK580368
Synonyms: trans-4-[({S-benzyl-N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-L-cysteinyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)N[C@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)CSCc1ccccc1
STK580369
Synonyms: 2-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COc1cc2c(cc1OC)CCN(C2C)Cc1cc(=O)n2c(n1)c(C)ccc2
STK580370
Synonyms: 3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]ammonio}benzoate
Smiles: O=C1CCCC/C/1=C\[NH2+]c1ccc(cc1C)C(=O)[O-]
STK580371
Synonyms: 2-hydroxy-4-({3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O
STK580372
Synonyms: 1,5-dimethyl-4-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=C1OC(c2c1cccc2)Nc1c(C)n(n(c1=O)c1ccccc1)C
STK580373
Synonyms: N-(3,5-dichlorophenyl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1cc(cc(c1)Cl)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C
STK849389
Synonyms: N-(4-methoxyphenyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccc(cc1)Nc1cc(C)nc2n1nc(c2c1ccc(cc1)C)C
STK849390
Synonyms: 8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CC(C)CC(C1)C
STK849391
Synonyms: 2-methyl-3-phenyl-5-(propan-2-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCc2ccccn2)n2c(n1)c(c1ccccc1)c(n2)C)C
STK580391
Synonyms: 6-benzyl-2-hydroxy-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)Cc1ccccc1
STK580393
Synonyms: {[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C
STK580395
Synonyms: tert-butyl{3-oxo-3-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]propyl}carbamate(non-preferredname)
Smiles: O=C(N/N=C/c1cccc2c1nccc2)CCNC(=O)OC(C)(C)C
STK580399
Synonyms: 3,5-bis(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccc(cc1)c1cc(O)n2c(n1)c(c1ccc(cc1)OC)c(n2)C
STK580405
Synonyms: 2-(4-bromophenyl)-N-[3-(1H-tetrazol-1-yl)phenyl]acetamide
Smiles: O=C(Cc1ccc(cc1)Br)Nc1cccc(c1)n1cnnn1
STK580406
Synonyms: 5-(2-hydroxy-5-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)c2cc(C)ccc2O)sc2c1CCCC2
STK849396
Synonyms: 1-benzyl-7-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)cc(cc1)C
STK849399
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Smiles: O=C(/N=c/1\sc2c([nH]1)cccc2)CSc1nnc(o1)c1ccoc1C
STK580409
Synonyms: 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[4-(furan-2-yl)butan-2-yl]-N-methylacetamide
Smiles: CC(N(C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)C)CCc1ccco1
STK580418
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C
STK580422
Synonyms: 4-{[(3-hydroxypropyl)amino]methyl}quinolin-2-ol
Smiles: OCCCNCc1cc(O)nc2c1cccc2
STK580425
Synonyms: 10-(2-chloro-6-fluorophenyl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Fc1cccc(c1C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)Cl
STK849404
Synonyms: N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Smiles: CCc1n[nH]/c(=N\C(=O)C2OC(=O)c3c(C2)ccc(c3)C)/s1
STK580428
Synonyms: 1-{[3-(1H-indol-3-yl)propanoyl]oxy}pyrrolidine-2,5-dione
Smiles: O=C(ON1C(=O)CCC1=O)CCc1c[nH]c2c1cccc2
STK580431
Synonyms: 5,5-dimethyl-2-(pyrrolidin-1-ylmethyl)-5,6-dihydrobenzo[h]quinazolin-4-ol
Smiles: Oc1nc(CN2CCCC2)nc2c1C(C)(C)Cc1c2cccc1
STK580432
Synonyms: 8-[(2-aminoethyl)amino]-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: NCCNc1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C
STK580433
Synonyms: 4-(2-fluorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(C)cc(c1O)C
STK580434
Synonyms: 5-(3,4-dimethylphenyl)-3-(2-hydroxyphenyl)-1-(1H-indol-3-ylmethyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: Oc1ccccc1C1NC(C2C1C(=O)N(C2=O)c1ccc(c(c1)C)C)(Cc1c[nH]c2c1cccc2)C(=O)O
STK580436
Synonyms: 5-amino-2-(methylsulfanyl)-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Smiles: N#CC1=C(N)N=c2n(C1c1ccccc1)nc([nH]2)SC
STK849407
Synonyms: N-(4-chlorophenyl)-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Clc1ccc(cc1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK580437
Synonyms: 12-(furan-2-yl)-9,9-dimethyl-2-(pyridin-4-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccncc1
STK580438
Synonyms: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-5-phenyl-1-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1ccccn1)/O
STK580442
Synonyms: tert-butyl(2S)-2-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
Smiles: O=C(N(C)C)CSc1nnc(o1)[C@@H]1CCCN1C(=O)OC(C)(C)C
STK580444
Synonyms: N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-leucine
Smiles: COc1ccc(cc1Cl)NC(=O)N[C@H](C(=O)O)CC(C)C
STK580447
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-fluorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(C)cc(c1O)C
STK849411
Synonyms: N-(3-chlorophenyl)-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)Nc1cccc(c1)Cl
STK580451
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-(4-methylbenzyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)c1n[nH]c(c1)c1ccc(cc1O)C
STK580456
Synonyms: 5-(2,4-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2
STK580457
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(prop-2-en-1-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: C=CCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C
STK580459
Synonyms: 1-{N-[(9-oxo-9H-fluoren-4-yl)carbonyl]-L-valyl}piperidine-4-carboxylicacid
Smiles: CC([C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)c1cccc2c1c1ccccc1C2=O)C
STK849413
Synonyms: 3-cyclohexyl-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(OC)c(cc1OC)OC)C1CCCCC1
STK580466
Synonyms: 7-[3-(dimethylamino)propyl]-N-(4-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: CN(CCCn1c(C)c(c2c1ncnc2Nc1ccc(cc1)F)C)C
STK849416
Synonyms: N-(2-methoxyethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: COCCN(C(=O)C)Cc1cc2cccc(c2[nH]c1=O)C
STK580472
Synonyms: 2-[methyl(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)amino]ethanol
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N(CCO)C
STK580475
Synonyms: N-[(4-chlorobenzyl)carbamoyl]-D-valine
Smiles: CC([C@H](C(=O)O)NC(=O)NCc1ccc(cc1)Cl)C
STK580478
Synonyms: N-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCCC1=CCCCC1)C
STK849418
Synonyms: 4-[3-(quinolin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzenesulfonamide
Smiles: S=c1[nH]nc(n1c1ccc(cc1)S(=O)(=O)N)c1ccc2c(n1)cccc2
STK580481
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)NCc1ccc2c(c1)OCO2
STK580482
Synonyms: ethyl10-(furan-2-yl)-8-methyl-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(C1c1ccco1)c1nc(nn1cn2)c1ccccn1
STK580484
Synonyms: 5-(2-chlorophenyl)-4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/C=C/c1ccco1
STK580485
Synonyms: (2S)-({6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanoyl}amino)(phenyl)ethanoicacid
Smiles: O=C(N[C@@H](c1ccccc1)C(=O)O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK849420
Synonyms: 5-methyl-N-[2-(morpholin-4-yl)ethyl]-3-phenyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: C=CCc1c(C)nc2n(c1NCCN1CCOCC1)ncc2c1ccccc1
STK580491
Synonyms: methyl2-{methyl[(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N(C(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C)C
STK580493
Synonyms: 9-(4-ethoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCOc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)(C)C
STK849421
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-ylacetate
Smiles: CC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O
STK580498
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2)C
STK580501
Synonyms: N-{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}ethanediamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)C(=O)N
STK580502
Synonyms: methyl{1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Smiles: COC(=O)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(c(=O)n2C)C
STK580503
Synonyms: (1Z)-6,7-dimethoxy-1-{[(4-nitrophenyl)sulfonyl]methylidene}-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
STK580505
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(thiophen-2-yl)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3cccs3)/NCCc2cc1OC
STK849424
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NCc1ccccn1
STK849425
Synonyms: 2-(3,5-dimethoxyphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Smiles: COc1cc(cc(c1)OC)C1NC(=O)c2c(O1)cccc2
STK580513
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1cc(C)cc(c1O)C
STK849426
Synonyms: 2-amino-5-(2-chloro-6-fluorophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: O=C1Nc2nc(N)nc(c2C(C1)c1c(F)cccc1Cl)O
STK580521
Synonyms: 2-[2-(phenoxymethyl)-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethanol
Smiles: OCCn1c(c2ccccc2)c(c2c1ncn1c2nc(n1)COc1ccccc1)c1ccccc1
STK580525
Synonyms: (E)-1-(2-methoxyphenyl)-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: COc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C
STK580528
Synonyms: N-(3-bromobenzyl)-2-(4-tert-butylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)C(C)(C)C
STK580529
Synonyms: 12-(4-methoxyphenyl)-2-methyl-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)C
STK580532
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}pyridine-4-carboxamide
Smiles: Clc1cc(c2n(c1)c(CNC(=O)c1ccncc1)nn2)C(F)(F)F
STK580533
Synonyms: 4-({2-[(5E)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(C(N1C(=S)S/C(=C/c2ccc(cc2)F)/C1=O)C)Nc1ccc(c(c1)O)C(=O)O
STK580534
Synonyms: 6,8-dichloro-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1cc(Cl)c2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]nc(s1)C
STK849428
Synonyms: N-(4-fluorobenzyl)-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NCc1ccc(cc1)F
STK580538
Synonyms: 1-(4-tert-butylphenyl)-7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c(=O)c1c(o2)cc(c(c1)Cl)C
STK580539
Synonyms: 5-({4-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)C(=O)O)O)CCCN1C(=S)S/C(=C\c2ccccc2)/C1=O
STK580545
Synonyms: (2Z)-1-(3-chlorophenyl)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Smiles: Clc1cccc(c1)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2
STK849430
Synonyms: 2-{[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetohydrazide
Smiles: NNC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)/C2=O
STK580551
Synonyms: (1S)-3-methyl-1-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)butan-1-amine
Smiles: N[C@H](c1nnc(o1)SC/C=C/c1ccccc1)CC(C)C
STK580552
Synonyms: 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C
STK580557
Synonyms: 1-(3-hydroxyphenyl)-2-(3-hydroxypropyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)c(C)cc(c1)C
STK849434
Synonyms: 2-methyl-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCC2CCCO2)CCC1
STK580560
Synonyms: 2-methyl-3-phenyl-5-propyl-7-[4-(pyridin-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)c2ccccn2)n2c(n1)c(c1ccccc1)c(n2)C
STK580564
Synonyms: 6-hydroxy-1,3-dimethyl-5-[(2E)-3-(6-methylpyridin-2-yl)prop-2-enoyl]pyrimidine-2,4(1H,3H)-dione
Smiles: Cc1cccc(n1)/C=C/C(=O)c1c(O)n(C)c(=O)n(c1=O)C
STK580566
Synonyms: 5-[(4-fluorobenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: Fc1ccc(cc1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1
STK580567
Synonyms: 2-(4-methoxyphenoxy)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
Smiles: COc1ccc(cc1)OCC(=O)Nc1onc(c1)c1ccc(cc1)C
STK580568
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(biphenyl-2-yl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccccc1c1ccccc1
STK580570
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(2-methoxyethyl)ethanethioamide
Smiles: COCCNC(=S)/C=C/1\NCCc2c1cc(OC)c(c2)OC
STK580572
Synonyms: methyl(2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate
Smiles: COC(=O)[C@H](c1ccccc1Cl)N1CCc2c(C1)ccs2
STK580574
Synonyms: 4-{(E)-[1-(4-fluorobenzyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}benzoicacid
Smiles: Fc1ccc(cc1)CN1C(=N/C(=C/c2ccc(cc2)C(=O)O)/C1=O)O
STK580580
Synonyms: (3a'S,6a'R)-5'-cyclopentyl-5-fluoro-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(F)cc1
STK580585
Synonyms: 6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1ccc(c(c1)OC)OC)c(C)nn2c1ccccc1
STK580586
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-[4-(2-methoxyphenyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1ccccc1c1cnoc1c1ccc(cc1O)OCc1ccccc1F
STK849442
Synonyms: 2-methyl-N-(2-methylpropyl)-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: CC(CNc1c2CCCCc2nc2n1nc(c2c1ccccc1)C)C
STK580588
Synonyms:
Smiles: O=C(Nc1ccc(cc1)F)COc1cccc2c1nsn2
STK849444
Synonyms: 2-{[3-cyano-6-hydroxy-4-(4-methylphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)N=C(CC1c1ccc(cc1)C)O
STK580596
Synonyms: 5-(2,4-dimethoxyphenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1cc(OC)ccc1C1CC(=Nc2c1c(=O)nc(n2C)SC)O
STK580597
Synonyms: 3-methyl-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cn1cnc2c(c1=O)cc(s2)c1ccccc1
STK580605
Synonyms: N-[(1-phenylethyl)carbamoyl]-D-alanine
Smiles: CC(c1ccccc1)NC(=O)N[C@@H](C(=O)O)C
STK580608
Synonyms: 6-(furan-2-yl)-2-methyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1c(OC)cc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)c1ccco1
STK580609
Synonyms: N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCCc1ccc(cc1)Cl
STK849450
Synonyms: 3-[7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)c1cccc(c1)O
STK849451
Synonyms: 8-(2,4-dimethoxyphenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1OC)OC)c1ccccc1
STK580614
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl
STK580616
Synonyms: 7-methoxy-3-{(E)-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}quinolin-2-ol
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1)O
STK580622
Synonyms: 7-chloro-6-methyl-1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: O=C1N(Cc2cccnc2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1cccc(c1)Oc1ccccc1
STK580623
Synonyms: 8-ethoxy-N-(tetrahydrofuran-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCC1CCCO1
STK580624
Synonyms: N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan
Smiles: OC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
STK580627
Synonyms: 1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-ylpyrrolidine-1-carbodithioate
Smiles: CC(C(=O)c1cc(Br)ccc1O)SC(=S)N1CCCC1
STK849456
Synonyms: 4-phenyl-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: NC1=NC(n2c(=N1)[nH]c1c2cccc1)c1ccccc1
STK580628
Synonyms: N-(pentylcarbamoyl)-D-methionine
Smiles: CCCCCNC(=O)N[C@@H](C(=O)O)CCSC
STK849457
Synonyms: N-(3-acetylphenyl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: O=C(Nc1cccc(c1)C(=O)C)CCCn1nnc2c(c1=O)cccc2
STK849458
Synonyms: N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: COCCNC(=O)c1c(NC(=O)c2nn(ccc2=O)c2cccc(c2)C)sc2c1CCCC2
STK849459
Synonyms: 3-(2-hydroxyphenyl)-5-(tetrahydrofuran-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(cc(c1OC)OC)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK580635
Synonyms: 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(2-methoxyethyl)acetamide
Smiles: COCCNC(=O)COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
STK580638
Synonyms: 3-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: CCN(CCn1c(=O)n(c2ccc(cc2)Cl)c(=O)c2c1sc1c2CCN(C1)C)CC
STK580639
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
Smiles: Cc1ccc2c(c1)c(C)c(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK580640
Synonyms: N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1ccc(c(c1)Cl)F
STK580651
Synonyms: N-[5-hydroxy-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
Smiles: CCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)OC
STK580652
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1N)c1cc([nH]n1)c1ccccc1
STK580653
Synonyms: 2-[8-(4-chlorophenyl)-11-(furan-2-yl)-10-methyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: Clc1ccc(cc1)n1nc(c2c1Oc1ncn3c(c1C2c1ccco1)nc(n3)c1ccccc1O)C
STK580655
Synonyms: methyl4-({7-[(4-bromobenzyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)Br
STK580660
Synonyms: 2-(3,4-dimethoxyphenyl)-8,9-dimethylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)oc(c1C)C
STK580661
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-nitrobenzamide
Smiles: Oc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n2c(n1)nc(n2)CCc1ccccc1
STK580665
Synonyms: 5-hydroxy-7-(4-methoxyphenyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]-2,3,4,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(cc1)C1CC(=C2C(=NC(=O)CC2C(=O)Nc2cccc(c2)C(F)(F)F)C1)O
STK580677
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
Smiles: Fc1ccc2c(c1)c(C)c(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK849464
Synonyms: 6-methyl-4-oxo-N-(pyridin-3-yl)-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1cccnc1
STK849465
Synonyms: 5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cccc(c1)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK580678
Synonyms: 3-(4-chlorophenyl)-2,5-dimethyl-7-(2-methyl-1H-imidazol-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(C)cc2n1ccnc1C
STK580679
Synonyms: 2-{5-[(2-methylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: Cc1ccc(cc1)n1c(nnc1c1cnccn1)SCc1ccccc1C
STK580680
Synonyms: 1-methyl-6-(3-methylphenyl)-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Smiles: Cc1cccc(c1)N1CC2=C(C1=O)C(NC(=O)N2C)c1cccc(c1)[N+](=O)[O-]
STK580683
Synonyms: 2-{[(2Z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)Nc1ccccc1C(F)(F)F
STK849466
Synonyms: 4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Clc1ccc(cc1)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK580685
Synonyms: 2-(2-methoxyethyl)-1-(4-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCN1C(=O)c2c(C1c1ccc(cc1)OC)c(=O)c1c(o2)cccc1
STK580686
Synonyms: 2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(cc1)F)c1ccc(cc1)Br
STK580689
Synonyms: (4E)-4-{[(3,5-dichlorophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cc(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1)Cl
STK849467
Synonyms: 2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)N)N=C(CC1c1cc(Br)c(c(c1)OC)O)O
STK580693
Synonyms: 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(pyridin-3-yl)propanamide
Smiles: O=C(Nc1cccnc1)CCn1nnc2c(c1=O)cccc2
STK580699
Synonyms: 2-benzyl-11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1ccco1)c1c(O2)ncn2c1nc(n2)Cc1ccccc1)c1ccccc1
STK580703
Synonyms: 2-[(4-fluorobenzyl)sulfanyl]-4-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: COc1cc(ccc1O)C1CC(=O)Nc2c1c(O)nc(n2)SCc1ccc(cc1)F
STK580707
Synonyms: 6'-hydroxy-4-methyl-3'-(4-phenylbutan-2-yl)-3,4-dihydro-1H,2'H-spiro[benzo[f]quinoline-2,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CC(N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O)CCc1ccccc1
STK580710
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3,5-dimethylphenyl)-4-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)C)c([nH]n2)c1cc(C)cc(c1O)C
STK580716
Synonyms: N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]thiophene-2-carboxamide
Smiles: Cc1ccc(cc1)c1nonc1NC(=O)c1cccs1
STK580717
Synonyms: 2-[(5Z)-5-benzylidene-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\c2ccccc2)/C1=O)Nc1ccc2c(c1)ccc(=O)o2
STK849470
Synonyms: 2-[(3-acetylphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
Smiles: CC(=O)c1cccc(c1)Nc1nc(=O)c2c(s1)nccc2
STK580718
Synonyms: 2-[4-(benzyloxy)phenyl]-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCCCN1CCOCC1)c1ccc(cc1)OCc1ccccc1
STK849472
Synonyms: 4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-methyl-3-nitroquinolin-2(1H)-one
Smiles: [O-][N+](=O)c1c(NC2CCS(=O)(=O)C2)c2ccccc2n(c1=O)C
STK849473
Synonyms: 1-benzyl-9-methyl-2-[(4-phenylpiperazin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: O=c1c2cc(n(c2nc2n1cccc2C)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccc1
STK580729
Synonyms: (3R)-2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-(pentylamino)butan-2-yl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CCCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
STK580730
Synonyms: 7-chloro-1-(3-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK580731
Synonyms: N-[6-methyl-2,4-bis(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]furan-2-carboxamide
Smiles: Cc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccco1)c1ccc(cc1)C
STK580739
Synonyms: (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl2-methylpropanoate
Smiles: CC(C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O)C
STK580742
Synonyms: 2-(1H-benzimidazol-2-yl)-3-oxo-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile
Smiles: N#CC(c1nc2c([nH]1)cccc2)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1
STK580745
Synonyms: N-[(3-chlorophenyl)carbamoyl]-D-leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)Nc1cccc(c1)Cl)C
STK580754
Synonyms: N-(3-ethoxypropyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCOCCCNC(=O)c1cc2c(n1CCCOC)nc1n(c2=O)cccc1
STK580755
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C
STK580763
Synonyms: 2-({5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N
STK580765
Synonyms: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(3-nitrophenoxy)acetamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C)COc1cccc(c1)[N+](=O)[O-]
STK580770
Synonyms: (5Z)-3-[4-(azepan-1-yl)-4-oxobutyl]-5-(4-methylbenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Cc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)N1CCCCCC1
STK849478
Synonyms: 1-benzyl-N-(3-ethoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCOCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK580773
Synonyms: 7-ethyl-N~5~-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
Smiles: CCN1CCc2c(C1)c(Nc1ccc(cc1)C)nc1c2c(N)n[nH]1
STK849479
Synonyms: 1-benzyl-N,N-diethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)CC
STK849480
Synonyms: methyl4-(2-ethyl-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
Smiles: CCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)cccc1
STK580778
Synonyms: 4-({[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2)/C1=O)Nc1ccc(c(c1)O)C(=O)O
STK580780
Synonyms: 9-(2-ethoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCOc1ccccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)C(F)(F)F
STK580783
Synonyms: N,N-diethyl-N'-(8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)propane-1,3-diamine
Smiles: CCN(CCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)CC)CC
STK580786
Synonyms:
Smiles: CCC([C@H](C(=O)OC)NC(=O)NCc1ccc(cc1)C)C
STK849481
Synonyms: 3-(2-bromophenoxy)-7-methoxy-2-methyl-4H-chromen-4-one
Smiles: COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)C
STK849482
Synonyms: 4-[4-(2-ethoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]benzene-1,3-diol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)O
STK580792
Synonyms: 3-cyclohexyl-7-(3,5-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nnc1C1CCCCC1
STK580795
Synonyms: 1-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3H-benzo[f]chromen-3-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1c1ccccc1cc2
STK849485
Synonyms: 3,3-dimethyl-N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]butanamide
Smiles: O=C(CC(C)(C)C)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C
STK580796
Synonyms: (4-benzylpiperidin-1-yl)(5,6-dimethoxy-1H-indol-2-yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCC(CC1)Cc1ccccc1
STK849486
Synonyms: 1-(morpholin-4-ylmethyl)-3H-benzo[f]chromen-3-one
Smiles: O=c1cc(CN2CCOCC2)c2c(o1)ccc1c2cccc1
STK580800
Synonyms: (3S)-N-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C(Nc1ccc(cc1C)C)CNC(=O)[C@H]1NCc2c(C1)cccc2
STK580802
Synonyms: 3-(2-methoxyethyl)-2,10-dimethylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COCCn1c(C)nc2c(c1=O)c(=O)c1c(n2C)cccc1
STK849489
Synonyms: 3-(4-methoxyphenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(OC)c(cc1OC)OC
STK580810
Synonyms: 7-(furan-2-yl)-2-hydroxy-5-oxo-N-[3-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)CC(C2)c1ccco1
STK580815
Synonyms: 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: CC1CCN(CC1)C(=O)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2
STK580821
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-(furan-2-ylmethyl)benzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccco1
STK580826
Synonyms: 2-cyano-N-(1-imino-1,3-dihydro-2H-isoindol-2-yl)acetamide
Smiles: N#CCC(=O)NN1Cc2c(C1=N)cccc2
STK849490
Synonyms: N-(3-methoxyphenyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1cccc(c1)OC
STK580829
Synonyms: N-benzyl-6-chloro-N-(4-methoxyphenyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: COc1ccc(cc1)N(C(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Cc1ccccc1
STK580830
Synonyms: 3-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(2E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1c(O)nc(n(c1=O)CCC1=CCCCC1)O
STK580833
Synonyms: N-[(2Z)-1,3-benzoxazol-2(3H)-ylidene]-5-(tetrahydrofuran-2-ylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: C1COC(C1)CN1CNC(=NC1)/N=c/1\oc2c([nH]1)cccc2
STK580835
Synonyms: 3-(4-chlorophenyl)-5-methyl-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2Nc1ccncc1
STK580836
Synonyms: 4-({4-chloro-N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]phenylalanyl}amino)butanoicacid
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)NC(C(=O)NCCCC(=O)O)Cc1ccc(cc1)Cl
STK580839
Synonyms: (4Z)-4-(hydroxyimino)-N-(4-methoxyphenyl)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)Nc1ccc(cc1)OC
STK580844
Synonyms: 2-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
Smiles: COc1cc(OC)cc2c1c(C)c(c(=O)o2)CC(=O)NCCc1cccc(c1)F
STK580845
Synonyms: 2-(ethylsulfanyl)-9-(3-hydroxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cccc(c1)O
STK580846
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl
STK580848
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCN(CC1)C
STK849493
Synonyms: 3-amino-6-(1,3-benzodioxol-5-yl)-N-cyclopropylthieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccc2c(c1)OCO2)NC1CC1
STK580851
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2N1CCN(CC1)c1ccccc1)C(C)(C)C
STK849495
Synonyms: 3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1ccccc1O
STK580854
Synonyms: {[(2Z)-2-(4-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)F)/C2=O
STK580857
Synonyms: ethyl4-({[(2E)-4-hydroxy-2-{[3-(trifluoromethyl)phenyl]imino}-2,5-dihydro-1,3-thiazol-5-yl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CC1S/C(=N/c2cccc(c2)C(F)(F)F)/N=C1O
STK580860
Synonyms: 2-(3,4-dimethoxybenzyl)-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)Cc1ccc(c(c1)OC)OC
STK580867
Synonyms: N-(3-chlorophenyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Clc1cccc(c1)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK849501
Synonyms: 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1c(OC)ccc2c1cccc2)Cc1ccccc1
STK580882
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-5-[(5-methylfuran-2-yl)methylidene]-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(o2)C)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK580886
Synonyms: N-[(2E)-6-ethoxy-1,3-benzothiazol-2(3H)-ylidene]-2-(4-ethylpiperazin-1-yl)acetamide
Smiles: CCOc1ccc2c(c1)s/c(=N/C(=O)CN1CCN(CC1)CC)/[nH]2
STK580888
Synonyms: 7'-{[(E)-(4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=N1)O
STK580891
Synonyms: 4-{[(E)-(5-methylfuran-2-yl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(o1)C)C
STK849502
Synonyms: 3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1ccccc1O
STK580901
Synonyms: 3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]propanamide
Smiles: Cc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=O)Nc1ncc(s1)Cc1ccc(cc1)C
STK580905
Synonyms: 4'-amino-5-fluoro-9',10'-dimethoxy-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(F)cc1)cc(c(c3)OC)OC
STK580910
Synonyms: 11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N=C2CCC1)cccc3)C
STK849505
Synonyms: 5-ethoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: CCOc1ccc(c(c1)O)c1onc(c1c1ccccc1)C
STK580924
Synonyms: 5,7-dimethyl-1-[3-(3-methylbutoxy)phenyl]-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C)C
STK580925
Synonyms: 8-benzyl-5-(2-methylpiperidin-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: CC1CCCCN1c1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1
STK849507
Synonyms: 1-benzyl-N-butyl-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK580929
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O
STK580930
Synonyms: 5,6-di(furan-2-yl)-N-[2-(morpholin-4-yl)ethyl]furo[2,3-d]pyrimidin-4-amine
Smiles: O1CCN(CC1)CCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1
STK580934
Synonyms: 2-[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
Smiles: N#Cc1c(O)nc(nc1c1ccccc1)/N=c/1\sc2c([nH]1)cccc2
STK849509
Synonyms: 2-(3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)COc1cc(C)cc(c1)C
STK849510
Synonyms: 1-benzyl-9-methyl-N-(2-methylpropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CC(CNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)C
STK580947
Synonyms: 3-chloro-4-[(3-chloro-4-methylphenyl)amino]-1-(naphthalen-1-yl)-1H-pyrrole-2,5-dione
Smiles: ClC1=C(Nc2ccc(c(c2)Cl)C)C(=O)N(C1=O)c1cccc2c1cccc2
STK580949
Synonyms: 3,4-dihydroisoquinolin-2(1H)-yl(4,5,6-trimethoxy-1H-indol-2-yl)methanone
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N1CCc2c(C1)cccc2
STK580951
Synonyms: (3R,3'S,3a'S,6a'R)-3'-benzyl-6-chloro-5'-(4-fluorophenyl)-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2Cc2ccccc2)C(=O)Nc2c1ccc(c2C)Cl
STK580954
Synonyms: 3-(4-chlorophenyl)-2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)c1ccccc1
STK849511
Synonyms: 6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(c2cccnc2)c2c(C1=O)oc1c(c2=O)cc(c(c1)C)C
STK580956
Synonyms: 4-amino-N-(2,4-dichlorophenyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: Clc1ccc(c(c1)Cl)NC(=O)c1sc(=S)n(c1N)C
STK849512
Synonyms: 2-(2-fluorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)Cc1ccccc1F
STK580962
Synonyms: trans-4-({[1-(tert-butoxycarbonyl)-L-prolyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C([C@@H]1CCCN1C(=O)OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)O
STK580964
Synonyms: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C
STK580967
Synonyms: [(5S)-5-(benzylcarbamoyl)-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccccc1Cl)C(=O)NCc1ccccc1
STK849513
Synonyms: 2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-[(4-chlorobenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)Cl)N
STK580968
Synonyms: (4Z)-4-(hydroxyimino)-3,6,6-trimethyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)NCc1cccnc1
STK580974
Synonyms: 9-(2-chlorophenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccc1Cl
STK580975
Synonyms: 7-(piperazin-1-yl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3N1CCNCC1)C
STK580985
Synonyms: 3-[4-(4-bromophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoicacid
Smiles: Brc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)c1cccc(c1)C(=O)O)C
STK849515
Synonyms: N-[2-(morpholin-4-yl)ethyl]-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCCN2CCOCC2)n2c(n1)c(cn2)c1ccccc1)C
STK580991
Synonyms: (5E)-3-cyclohexyl-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(\NCCc2c[nH]c3c2cccc3)/C)/C(=O)N1C1CCCCC1
STK580992
Synonyms: 2-[4-(4-chlorophenyl)-3-methyl-1,2-oxazol-5-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccccc1C
STK580994
Synonyms: 8-methoxy-5-methyl-3-[2-(piperidin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1n2C)CCN1CCCCC1
STK849516
Synonyms: 4-hydroxy-8-methyl-3-phenyl-2H-pyrido[1,2-a]pyrimidin-2-one
Smiles: Cc1ccn2c(c1)nc(=O)c(c2O)c1ccccc1
STK580995
Synonyms: 2-(butan-2-yl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: CCC(N1Cc2c(C1=N)cccc2)C
STK580996
Synonyms: 4-(3-methoxyphenyl)-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: COc1cccc(c1)C1N=C(N)N=c2n1c1ccccc1[nH]2
STK580998
Synonyms: (3R)-5-oxo-N-(1-phenylethyl)-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NC(c1ccccc1)C
STK581000
Synonyms: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O)C
STK581003
Synonyms: 4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)OC)OC
STK581007
Synonyms: N'-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)pyridine-4-carbohydrazide
Smiles: COc1c(OC)ccc2c1C(=O)OC2NNC(=O)c1ccncc1
STK581010
Synonyms: 2-(phenoxymethyl)-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CCCC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)COc1ccccc1
STK581011
Synonyms: (5Z)-5-{(2E)-3-[4-(dimethylamino)phenyl]-1-hydroxyprop-2-en-1-ylidene}-6-hydroxy-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2ccc(cc2)N(C)C)/O)/C1=O)O
STK581017
Synonyms: 3-(4-chlorophenyl)-5-methyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NC(c1ccccc1)C
STK849519
Synonyms: (5E)-5-(3,4-dihydroxybenzylidene)-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O
STK581020
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2n[nH]c(c2)c2cc(C)ccc2O)ccc1OC
STK849520
Synonyms: N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: COCCNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)c(C)cc(c3)C)sc2c1CCCC2
STK581021
Synonyms: 1-{8-methyl-10-phenyl-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl}ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)CO/N=C/c1ccccc1
STK849521
Synonyms: 3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2O)c1ccccc1
STK581025
Synonyms: {(5S)-5-[(4-acetylphenyl)carbamoyl]-3-[4-(2-amino-2-oxoethoxy)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: NC(=O)COc1ccc(cc1)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1)C(=O)C
STK581028
Synonyms: 2-(4-tert-butylphenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C(Oc1ccc(cc1)C(C)(C)C)C
STK581032
Synonyms: (2Z)-6-[(4-ethenylbenzyl)oxy]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: C=Cc1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1sccc1C)/C2=O
STK581035
Synonyms: N-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]glycine
Smiles: OC(=O)CN/C=C/1\C(=NC(=NC1=O)O)O
STK581041
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)NCCc1ccc(cc1)S(=O)(=O)N)O
STK581042
Synonyms: 5-{[3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydro-1,3-thiazol-5-yl]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2sc(=O)n(c2N2CCN(CC2)c2ccccc2)Cc2ccccc2)C(=O)N1C
STK849524
Synonyms: 8-methyl-2-[(4-methylphenyl)amino]-4-phenyl-4,9-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: Cc1ccc(cc1)NC1=NC(c2ccccc2)n2c(=N1)[nH]c(cc2=O)C
STK581045
Synonyms: 5-(2,4-dimethoxyphenyl)-7-hydroxy-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1cc(OC)ccc1C1CC(=Nc2c1c(=O)[nH]c(n2)SC)O
STK581047
Synonyms: (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
Smiles: COCCNC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2
STK581049
Synonyms: 2-hydroxy-4-({[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)benzoicacid
Smiles: COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)O)C(=O)O
STK581050
Synonyms: 2-[(4-tert-butylphenoxy)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: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccc(cc1)C(C)(C)C
STK581053
Synonyms: 4-methoxy-N-[3-oxo-2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-2-yl]benzamide
Smiles: COc1ccc(cc1)C(=O)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F
STK581054
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(2,4-dichlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl)N
STK581055
Synonyms: 2-{[3-cyano-6-hydroxy-4-(thiophen-2-yl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-[2-methyl-5-(morpholin-4-ylsulfonyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(ccc2C)S(=O)(=O)N2CCOCC2)N=C(CC1c1cccs1)O
STK581059
Synonyms: (2Z)-3-[(2-fluoro-5-methylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1F)/c1scc(n1)c1cc2ccccc2oc1=O
STK581060
Synonyms: N-benzyl-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)NCc1ccccc1
STK581062
Synonyms: 1-[10-(furan-2-yl)-2-(2-hydroxyphenyl)-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)c1ccccc1O
STK581064
Synonyms: 9-[4-(diethylamino)phenyl]-8-hydroxy-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydroacridin-1(2H)-one
Smiles: CCN(c1ccc(cc1)C1C2=C(O)CC(CC2=NC2=C1C(=O)CC(C2)(C)C)(C)C)CC
STK581066
Synonyms: 1,1'-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl]imino}dipropan-2-ol
Smiles: CC(CN(c1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C)CC(O)C)O
STK581071
Synonyms: 5,7-dimethyl-1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK581072
Synonyms: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccc(cc1)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2
STK581073
Synonyms: 4-{[(E)-thiophen-2-ylmethylidene]amino}-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1cccs1)C(F)(F)F
STK849526
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)-6-methylpyrimidin-4-yl]-5-(benzyloxy)phenol
Smiles: COc1ccccc1Oc1c(C)nc(nc1c1ccc(cc1O)OCc1ccccc1)N
STK581076
Synonyms: 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-2-carboxylicacid
Smiles: Cc1nn(c(c1)C)c1ccc(c(n1)C(=O)O)Cl
STK581077
Synonyms: 7,9-dibromo-6-ethyl-6H-indolo[2,3-b]quinoxaline
Smiles: CCn1c2c(Br)cc(cc2c2c1nc1ccccc1n2)Br
STK581078
Synonyms: 2-(benzylsulfanyl)-N-[(2Z)-5,5-dioxido-3-phenyltetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccccc1)CS(=O)(=O)C2)CSCc1ccccc1
STK581079
Synonyms: (3S)-N-{2-oxo-2-[(1-phenylethyl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C(NC(c1ccccc1)C)CNC(=O)[C@H]1NCc2c(C1)cccc2
STK581081
Synonyms: 2'-hydroxy-3-methyl-1'-[3-(trifluoromethyl)phenyl]-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2cccc3)C(=O)N=C(N(C1=O)c1cccc(c1)C(F)(F)F)O
STK581083
Synonyms: (2Z)-2-[(2,4-dimethylphenyl)imino]-4,7-dimethyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: CC1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1C)C)/nc2C
STK581084
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1ccccc1Cl
STK581086
Synonyms: 8-(morpholin-4-ium-4-ylmethyl)-3-(naphthalen-2-yloxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)oc(c(c2=O)Oc1ccc2c(c1)cccc2)C(F)(F)F
STK849529
Synonyms: 5,6-dimethyl-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1c(C)nc2n(c1NCC1CCCO1)ncc2c1ccccc1
STK581092
Synonyms: N-butyl-4-chloro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CCCCN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O
STK581093
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)COC(C)C
STK581096
Synonyms: 4-hydroxy-3-{(2-hydroxy-4-oxo-4,5-dihydrofuran-3-yl)[2-(4-phenylpiperazin-1-yl)phenyl]methyl}furan-2(5H)-one
Smiles: OC1=C(C(=O)CO1)C(c1ccccc1N1CCN(CC1)c1ccccc1)C1=C(O)COC1=O
STK581100
Synonyms: 1-(3-chlorophenyl)-2-(3-methoxypropyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCCN1C(=O)c2c(C1c1cccc(c1)Cl)c(=O)c1c(o2)cccc1
STK581102
Synonyms: 8-[3-(dimethylamino)propyl]-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: CN(CCCn1c(C)c(n2c1nc1c2c(O)nc(=O)n1C)C)C
STK849531
Synonyms: 2-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-6-ethyl-4H-chromen-4-one
Smiles: CCc1ccc2c(c1)c(=O)cc(o2)C(=O)N1CCN(CC1)c1cccc(c1)Cl
STK581103
Synonyms: 4-(3-chlorophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Clc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK581107
Synonyms: 7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(Cl)n2c(n1)c(c(n2)C)c1ccccc1Cl
STK581108
Synonyms: 2-amino-5,6-dimethyl-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
Smiles: COc1c(OC)c(OC)ccc1c1c(C)c(C)nc(c1C#N)N
STK581109
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)OCC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK581114
Synonyms: (1S)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-3-methylbutan-1-amine
Smiles: CC(C[C@@H](c1nnc(o1)SCc1ccc(cc1)F)N)C
STK581115
Synonyms: N-[5-hydroxy-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
Smiles: O=C(C(C)C)Nc1cc(O)nc2n1nc(n2)c1ccccc1C
STK581118
Synonyms: 7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)Cl)c(=O)c1c(o2)cc(c(c1)Cl)C
STK581119
Synonyms: N-benzyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N(Cc1ccccc1)C
STK581121
Synonyms: 3-[2-(dimethylamino)ethyl]-5-(furan-2-yl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: CN(CCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)cc(cc1)O)C
STK581123
Synonyms: 5-methyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cn1c2ccccc2c2c1c(=O)n(cn2)Cc1cccnc1
STK581129
Synonyms: (2Z)-N-(4-methoxyphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanamide
Smiles: COc1ccc(cc1)NC(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2
STK581135
Synonyms: 2-[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)COc1ccc2c(c1)oc(=O)c1c2cccc1
STK581137
Synonyms: 2-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK849538
Synonyms: (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl4-chlorobutanoate
Smiles: ClCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(OC)c(c(c1)OC)OC)/C2=O
STK849539
Synonyms: 4-(3-chlorophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)Cl)c([nH]n2)c1ccccc1O
STK581140
Synonyms: 3-hydroxy-N-methylquinoxaline-1(2H)-carbothioamide
Smiles: CNC(=S)N1CC(=Nc2c1cccc2)O
STK581144
Synonyms: N-(5-chloro-2-cyanophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: N#Cc1ccc(cc1NC(=O)CN1CCc2c(C1)cc1c(c2)OCCCO1)Cl
STK581147
Synonyms: N-[4-(dimethylamino)phenyl]-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)Nc1ccc(cc1)N(C)C
STK581153
Synonyms: 4-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl}-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)CCOC(c2ccccc2)c2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C
STK581158
Synonyms: 1-[2-(4-methoxyphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]-4-phenylbutan-1-one
Smiles: COc1ccc(cc1)c1nc2c(s1)CN(CC2)C(=O)CCCc1ccccc1
STK581162
Synonyms: (5Z)-5-(2H-chromen-3-ylmethylidene)-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCN1C(=O)/C(=C\C2=Cc3c(OC2)cccc3)/C(=C(C1=O)C#N)C
STK581163
Synonyms: N'-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N,N-diethylpropane-1,3-diamine
Smiles: CCN(CCCNc1ncnc2c1c(C)c(o2)C)CC
STK581164
Synonyms: N-(2,5-dimethylphenyl)-2-hydroxy-4-methyl-6-(naphthalen-1-yl)-1,6-dihydropyrimidine-5-carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)C1=C(C)N=C(NC1c1cccc2c1cccc2)O)C
STK581170
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccccc1C(F)(F)F)O
STK581173
Synonyms: 6-amino-4-hydroxy-1-(pyridin-4-ylmethyl)pyrimidin-2(1H)-one
Smiles: Oc1cc(N)n(c(=O)n1)Cc1ccncc1
STK581174
Synonyms: 4,5,6-trimethoxy-N-(2-methoxyphenyl)-1H-indole-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC
STK581176
Synonyms: N-cyclohexyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N(C1CCCCC1)C
STK581177
Synonyms: (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1cccc(c1)C(F)(F)F
STK581181
Synonyms: 1-(4-fluorophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentanecarboxamide
Smiles: Fc1ccc(cc1)C1(CCCC1)C(=O)NCCc1nnc2n1cccc2
STK581184
Synonyms: 1-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}-1H-pyrrole-2,5-dione
Smiles: Cc1cc(C)[nH]/c(=N\N2C(=O)C=CC2=O)/n1
STK581186
Synonyms: 5-fluoro-N-(quinolin-6-yl)-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)Nc1ccc2c(c1)cccn2
STK849546
Synonyms: 2-(3-hydroxypropyl)-1'-methyl-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9(1'H)-trione
Smiles: OCCCN1C(=O)c2c(C31c1ccccc1N(C3=O)C)c(=O)c1c(o2)cccc1
STK581191
Synonyms: 2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]-N-[3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-yl]acetamide
Smiles: O=C(Nc1cc(nn1c1ccccn1)C)COc1cc(C)cc2c1c1CCCc1c(=O)o2
STK849549
Synonyms: 3-chloro-N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: CCc1n[nH]/c(=N\C(=O)c2cccc(c2)Cl)/s1
STK581199
Synonyms: 5-fluoro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)NC12CC3CC(C2)CC(C1)C3
STK581202
Synonyms: 4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-(pyridin-2-yl)cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)Nc1ccccn1
STK581207
Synonyms: 4-({[(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)O)C(=O)O
STK581211
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-chlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccc(cc1)Cl
STK581212
Synonyms: N-{3-[(furan-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)O
STK581213
Synonyms: 2-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Smiles: COc1ccc(cc1)C1CC(Nc2n1c1ccccc1n2)c1ccccc1Cl
STK581215
Synonyms: naphthalene-1,2-dione
Smiles: O=C1C=Cc2c(C1=O)cccc2
STK581224
Synonyms: 7-(3,4-dichlorophenyl)-3-(pyridin-4-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(cc1Cl)n1ncc2c1ncn1c2nnc1c1ccncc1
STK581226
Synonyms: methyl(4-hydroxy-3H-1,5-benzodiazepin-2-yl)acetate
Smiles: COC(=O)CC1=Nc2ccccc2N=C(C1)O
STK581229
Synonyms: 3-acetyl-8-amino-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: Nc1ccc2c(c1)CC1(C3N2CCN(C3)C(=O)C)C(=O)N(C)C(=O)N(C1=O)C
STK849554
Synonyms: 8-(2,3-dimethoxyphenyl)-3-(4-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(c1OC)OC
STK581234
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2nnn(c2c2ccc3c(c2)OCO3)c2nonc2N)ccc(c1OC)OC
STK849555
Synonyms: 1-benzyl-4-oxo-N-[3-(propan-2-yloxy)propyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CC(OCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)C
STK849557
Synonyms: methyl3-[(cyclopropylcarbonyl)amino]-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylate
Smiles: COC(=O)c1ccc2c(c1)nc(n(c2=O)NC(=O)C1CC1)S
STK581240
Synonyms: ethyl5-(2-amino-2-oxoethoxy)-6-bromo-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)N)c(c2)Br)c1ccc(cc1)OC
STK581241
Synonyms: methylN-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamoyl}-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)nc(o2)c1cccnc1
STK581245
Synonyms: 2-[(2,3-dimethylphenoxy)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1cccc(c1C)OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2
STK581247
Synonyms: 7-chloro-1-(3-fluorophenyl)-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl
STK849560
Synonyms: N-[(2Z)-5-(4-chlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Smiles: Clc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2c(C)onc2c2ccccc2Cl)/s1
STK849561
Synonyms: 2-methyl-3-phenyl-8-(4-phenylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCN(CC2)c2ccccc2)CCC1
STK581251
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
Smiles: COc1ccccc1N(C(=O)c1ccncc1)Cc1cc(O)nc2c1cccc2
STK581256
Synonyms: N-[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-methylbutoxy)benzamide(non-preferredname)
Smiles: NNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1ccc(cc1)OCCC(C)C
STK581259
Synonyms: 5-(2-hydroxyphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1n[nH]c(c1)c1ccccc1O
STK849564
Synonyms: 3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridine-2-carboxamide
Smiles: Fc1ccc(cc1)c1nc2sc(c(c2cc1C)N)C(=O)N
STK581262
Synonyms: N-ethyl-N-[(2-hydroxyquinolin-4-yl)methyl]propanamide
Smiles: CCN(C(=O)CC)Cc1cc(O)nc2c1cccc2
STK581269
Synonyms: 3-(1H-benzimidazol-2-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
Smiles: CCN1CCN(CC1)C(=O)CCc1nc2c([nH]1)cccc2
STK581274
Synonyms: methyl4-[(3-{4-[(4-fluorobenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)F
STK581279
Synonyms: 2-(benzylamino)-4-(furan-2-yl)-8-methyl-4,9-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: Cc1cc(=O)n2c(=NC(=NC2c2ccco2)NCc2ccccc2)[nH]1
STK581282
Synonyms: 4-chloro-N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C
STK581283
Synonyms: 4-[4-(benzyloxy)phenyl]-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)OCc1ccccc1)c([nH]n2)c1cc(Cl)c(cc1O)C
STK581293
Synonyms: 2-benzyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CCCC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)Cc1ccccc1
STK581294
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK849571
Synonyms: 2,8,10-trimethyl-N-[2-(morpholin-4-yl)ethyl]pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: Cc1cc(NCCN2CCOCC2)n2c(n1)c1c(C)cc(nc1n2)C
STK581300
Synonyms: (2E)-N-(3-bromobenzyl)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(cc1)C(C)(C)C
STK581301
Synonyms: N-(2-methoxyethyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-3-carboxamide
Smiles: COCCN(C(=O)c1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O
STK581304
Synonyms: (2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-1-[4-(trifluoromethoxy)phenyl]ethanone
Smiles: O=C(c1ccc(cc1)OC(F)(F)F)/C=C/1\NCCc2c1cc1OCCCOc1c2
STK581307
Synonyms: (4E)-5-(2-fluorophenyl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O
STK581308
Synonyms: 9-(4-hydroxyphenyl)-6,6-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: C=CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccc(cc1)O
STK581310
Synonyms: 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1cc(ccc1F)[N+](=O)[O-]
STK581317
Synonyms: 8-{[benzyl(methyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2CN(Cc1ccccc1)C)O
STK581321
Synonyms: 8-(3-chlorophenyl)-10-methyl-11-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: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1ccccc1)nc(n3)c1ccncc1)C
STK581322
Synonyms: 1-tert-butyl4-(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1
STK581323
Synonyms: 7'-({(Z)-[4-hydroxy-1-(3-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H
Smiles: Cc1cccc(c1)N1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O
STK849574
Synonyms: 3-(2-bromophenoxy)-7-[(2-methylprop-2-en-1-yl)oxy]-4H-chromen-4-one
Smiles: CC(=C)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1Br
STK581325
Synonyms: 7-chloro-6-methyl-1-[4-(methylsulfanyl)phenyl]-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CSc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK581326
Synonyms: 2-[(6-chloropyridin-3-yl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1ccc(nc1)Cl
STK849576
Synonyms: 2-(methylsulfanyl)-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CSc1nn2c(n1)nc(cc2O)c1ccccc1
STK581331
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(C)cc(c1O)C
STK581332
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
Smiles: CCC(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1
STK581333
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-(1-phenylethyl)quinoline-3-carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NC(c1ccccc1)C
STK581334
Synonyms: (5Z)-4-hydroxy-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-thiazol-2(5H)-one
Smiles: O=C1N=C(/C(=C/c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/S1)O
STK849577
Synonyms: 3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-propyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O
STK849578
Synonyms: 2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
Smiles: Clc1ccc(cc1)c1nn2c(c1)nc1c(c2O)CCCC1
STK581348
Synonyms: {2-[(3aR,4R,4aR,7aS,8R,8aR)-6-methyl-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C
STK581349
Synonyms: 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]quinazolin-4-ol
Smiles: CCc1ccc2c(c1)c(C)nc(n2)Nc1nc(O)c2c(n1)cccc2
STK581350
Synonyms: (5E)-3-(3-methoxypropyl)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COCCCN1C(=S)S/C(=C/c2ccc3c(c2)CC(O3)C)/C1=O
STK849583
Synonyms: 1-(3-chlorophenyl)-4-oxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,4-dihydropyridazine-3-carboxamide
Smiles: Clc1cccc(c1)n1ccc(=O)c(n1)C(=O)/N=c/1\[nH]nc(s1)C(C)C
STK581357
Synonyms: 7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)Cc2ccc(cc2)Cl)n2c(n1)c(c1ccccc1)c(n2)C
STK581358
Synonyms: (5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-2-sulfanyl-1-(3,4,5-trimethoxyphenyl)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/C1=O)S
STK581359
Synonyms: N,N-diethyl-3-[7-(furan-2-yl)-8-imino-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]propan-1-amine
Smiles: CCN(CCCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)c2ccccc2cc1)CC
STK581364
Synonyms: 8-ethyl-3-(3-hydroxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)CC)C
STK849584
Synonyms: ethyl[7-hydroxy-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(c1ccc(cc1)OC)c(n2)C
STK849585
Synonyms: 8-(2-methoxyethyl)-1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C
STK581370
Synonyms: 6-methoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCc1ccccn1
STK581371
Synonyms: 3-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propanoicacid
Smiles: OC(=O)CCn1cc(C)c(nc1=O)O
STK581374
Synonyms: 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
Smiles: CN1CCN(CC1)c1nc(CSc2ccc(cc2)Cl)cc(n1)O
STK581377
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-fluorophenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(Cl)c(cc1O)C
STK849588
Synonyms: N-(2,5-dimethoxyphenyl)quinoxaline-6-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1ccc2c(c1)nccn2)OC
STK849589
Synonyms: 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-6-phenyl-5,6-dihydropyrimidin-4-ol
Smiles: COc1ccc2c(c1)nc(nc2C)NC1=NC(CC(=N1)O)c1ccccc1
STK581384
Synonyms: (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-(3-methoxyphenyl)-3-phenylpropanamide
Smiles: COc1cccc(c1)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1
STK581388
Synonyms: 1-{5-methyl-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}ethanone
Smiles: CC1CCCCN1c1ncnc(c1)n1ncc(c1C)C(=O)C
STK581400
Synonyms: 4-fluoro-N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1
STK581405
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O
STK581406
Synonyms: {[(2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O
STK581407
Synonyms: (1Z)-1-{[(4-bromophenyl)sulfonyl]methylidene}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccc(cc1)Br
STK849592
Synonyms: 2-{4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1OC)C
STK581418
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-chloropyridin-2-yl)acetamide
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cn1)Cl
STK581419
Synonyms: 3-[1-(4-benzylpiperidin-1-yl)-1-oxobutan-2-yl]quinazolin-4(3H)-one
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)N1CCC(CC1)Cc1ccccc1
STK849593
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetamide
Smiles: NC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F
STK849594
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-hydroxy-2H-1,4-benzothiazin-2-yl)acetamide
Smiles: O=C(CC1Sc2ccccc2N=C1O)Nc1ccc2c(c1)OCCO2
STK581425
Synonyms: 2-(piperazin-1-ylmethyl)quinazolin-4-ol
Smiles: Oc1nc(CN2CCNCC2)nc2c1cccc2
STK581427
Synonyms: (5Z)-5-[4-(benzyloxy)benzylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(cc2)OCc2ccccc2)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK581433
Synonyms: 6-fluoro-2-methyl-N-(tetrahydrofuran-2-ylmethyl)quinoline-3-carboxamide
Smiles: Fc1ccc2c(c1)cc(c(n2)C)C(=O)NCC1CCCO1
STK581434
Synonyms: 4-{[(3Z)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-4-oxobutanoicacid
Smiles: CCn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1ccccc1c2
STK581437
Synonyms: N-{2-[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-4-phenoxybenzamide
Smiles: Clc1cc(c2n(c1)c(CCNC(=O)c1ccc(cc1)Oc1ccccc1)nn2)C(F)(F)F
STK581438
Synonyms: 3-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Smiles: O=C1CCCN1CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
STK849599
Synonyms: 3-(4-bromophenyl)-8-(5-methylfuran-2-yl)-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(o1)C)c1ccc(cc1)Br
STK849600
Synonyms: 3-(2-hydroxyphenyl)-5-(pyridin-4-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1c(OC)cc(cc1OC)C1N(Cc2ccncc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK849601
Synonyms: 8-methyl-1-[2-(morpholin-4-yl)ethyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=O)CCN1CCOCC1)nc1n(c2=O)cc(cc1)C
STK581452
Synonyms: N-(2-benzyl-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1cc(O)nc2n1nc(n2)Cc1ccccc1
STK849602
Synonyms: ethyl4-[5-chloro-2-(pyridin-2-yl)-1H-indol-3-yl]butanoate
Smiles: CCOC(=O)CCCc1c([nH]c2c1cc(Cl)cc2)c1ccccn1
STK581454
Synonyms: 4-[(4-ethylpiperazin-1-yl)methyl]-7,8-dimethyl-2H-chromen-2-one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2C)C
STK581456
Synonyms:
Smiles: Clc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2
STK849605
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-N-(4-propoxybenzyl)-4H-chromene-2-carboxamide
Smiles: CCCOc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=O)(=O)C1
STK581460
Synonyms: 5-(2,5-dimethoxyphenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1C1CC(=Nc2c1c(=O)nc(n2C)SC)O)OC
STK581464
Synonyms:
Smiles: CCC([C@@H](C(=O)NCc1ccc(cc1)C)NC(=O)[C@H]1NCc2c(C1)cccc2)C
STK581466
Synonyms: (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)[4-(3-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)c1nn2c(n1)nc(cc2C)C
STK581467
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: O=C(C12CCC(C1)C(C2=C)(C)C)N/N=C/c1ccccc1Cl
STK581468
Synonyms: (5Z)-1-benzyl-5-[1-propanoyl-5-(thiophen-2-yl)pyrazolidin-3-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(=O)N1N/C(=C\2/C(=O)NC(=O)N(C2=O)Cc2ccccc2)/CC1c1cccs1
STK581470
Synonyms: N-benzyl-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(NCc2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C
STK849607
Synonyms: 3-(furan-2-ylmethyl)-8-(naphthalen-1-yl)-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)CC1c1cccc2c1cccc2)Cc1ccco1
STK581472
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: Oc1cc(ccc1c1onc(c1c1ccccc1)C)OCc1ccccc1Cl
STK581473
Synonyms: 9-hydroxy-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
Smiles: N#Cc1cnn2c1nc1CCCCc1c2O
STK849608
Synonyms: N-cyclohexyl-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)C1CCCCC1
STK849609
Synonyms: 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1ccc(cc1)c1c(C)nn2c1nc(C)c(c2O)Cc1ccccc1
STK849610
Synonyms: 5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O
STK581482
Synonyms: 2-hydroxy-N'-[(E)-(5-methoxy-1H-indol-3-yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1)c(/C=N/NC(=O)c1ccccc1O)c[nH]2
STK581483
Synonyms: 2-[(4,7-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methylpyrimidin-4-ol
Smiles: CCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)cc(cc2)C
STK849611
Synonyms: N-[(2Z)-6-chloro-1,3-benzothiazol-2(3H)-ylidene]-6-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]c2c(s1)cc(cc2)Cl
STK581487
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O)C
STK849612
Synonyms: 4-(4-chloro-2-methylphenyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(c(c1)C)n1c(=S)[nH]nc1c1ccncc1
STK581492
Synonyms: ethyl[5-oxo-2-phenyl-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)Cc1ccncc1)c1ccccc1)C(F)(F)F
STK581493
Synonyms: 2-[(6-chloropyridin-3-yl)sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1ccc(nc1)Cl
STK581500
Synonyms: N-[2-(3-fluorophenyl)ethyl]-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCCc1cccc(c1)F
STK849614
Synonyms: 2-(furan-2-yl)-7-(2-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nc(n1)c1ccco1
STK849615
Synonyms: 3-(4-methoxyphenyl)-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: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(OC)c(c(c1)OC)OC
STK581507
Synonyms: N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Fc1ccc(cc1)C(c1ccco1)CCNC(=O)c1nc2n(n1)c(C)cc(n2)C
STK581509
Synonyms: N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxybenzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C
STK849616
Synonyms: 2-methyl-5-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran
Smiles: CC1Oc2c(C1)cc(cc2)/C=C/[N+](=O)[O-]
STK581510
Synonyms: 4-(acetylamino)phenyl(2E)-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)ethanoate
Smiles: CC(=O)Nc1ccc(cc1)OC(=O)/C=C\1/SC(=O)N=C1O
STK581513
Synonyms: (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)[2-(pyridin-3-yl)piperidin-1-yl]methanone
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N1CCCCC1c1cccnc1
STK581518
Synonyms: N-[5-hydroxy-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
Smiles: O=C(C(C)C)Nc1cc(O)nc2n1nc(n2)c1cccc(c1)C
STK581520
Synonyms: 2-(benzylsulfanyl)-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CC(c1cc(O)n2c(n1)nc(n2)SCc1ccccc1)C
STK581522
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl
STK849619
Synonyms: 3-(2,4-dimethoxyphenyl)-8-(3-nitrophenyl)-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)c1cccc(c1)[N+](=O)[O-]
STK581526
Synonyms: N-[3-(dimethylamino)propyl]-6-methoxy-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCCCN(C)C
STK849620
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCCCn1ccnc1
STK581531
Synonyms: ethyl[3-(3,4-dimethoxyphenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(cn2)c1ccc(c(c1)OC)OC
STK581532
Synonyms: (5Z)-5-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-4-hydroxy-1,5-dihydro-2H-imidazol-2-one
Smiles: Cc1cccc(c1)n1c(C)cc(c1C)/C=C/1\NC(=O)N=C1O
STK581534
Synonyms: 7-methyl-2-oxo-4-propyl-2H-chromen-5-ylN-[(4-methylphenyl)sulfonyl]-L-valinate
Smiles: CCCc1cc(=O)oc2c1c(OC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C)cc(c2)C
STK581538
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-(4-propoxybenzylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCCOc1ccc(cc1)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N
STK581539
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1ccc2c(c1)nc(o2)c1cccnc1)C
STK581541
Synonyms: 8-amino-3-(2-fluorophenyl)-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: Nc1ccc2c(c1)CC1(C3N2CCN(C3)c2ccccc2F)C(=O)N(C)C(=O)N(C1=O)C
STK581543
Synonyms: (5Z)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccccc2)C)/C1=O)S
STK849621
Synonyms: (6E)-4-(1-benzofuran-2-yl)-6-[(3,4-dichlorophenyl)imino]-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1[nH]/c(=N\c2ccc(c(c2)Cl)Cl)/nc(n1)c1cc2c(o1)cccc2
STK849622
Synonyms: 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ncnc2c1cc(s2)C
STK849623
Synonyms: 5-{[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl}-3-methyl-1,3,4-thiadiazole-2(3H)-thione
Smiles: CC(Nc1nc(nc(n1)NC(C)C)Sc1nn(c(=S)s1)C)C
STK581547
Synonyms: N-[(Z)-(1-hexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]histidine
Smiles: CCCCCCN1C(=O)N=C(/C(=C/NC(C(=O)O)Cc2c[nH]cn2)/C1=O)O
STK581551
Synonyms: 1-(3-ethoxyphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK581560
Synonyms: 5-(furan-2-yl)-3'-(4-methylphenyl)-2-(methylsulfonyl)-1'-phenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole
Smiles: Cc1ccc(cc1)c1nn(cc1C1CC(=NN1S(=O)(=O)C)c1ccco1)c1ccccc1
STK581564
Synonyms: 3-(5-chloro-2-methylphenyl)-6-hydroxy-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)c1cc(Cl)ccc1C)O
STK581567
Synonyms: 4-(2,4-dichlorophenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
Smiles: O=C(NCCc1nnc2n1cccc2)CCCOc1ccc(cc1Cl)Cl
STK581572
Synonyms: (2S)-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanamide
Smiles: O=c1n([C@H](C(=O)NCCC2=CCCCC2)Cc2ccccc2)c(=O)c2c(n1C)cccc2
STK581573
Synonyms: 5-ethoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
Smiles: CCOc1ccc(c(c1)O)c1onc(c1c1ccccc1)C(F)(F)F
STK581574
Synonyms: 2-(3,4-dimethylphenoxy)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2CCn3c(c2cc1OC)cc(nc3=O)Oc1ccc(c(c1)C)C
STK581575
Synonyms: 5-(2-hydroxy-3,4-dimethylphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1cccnc1
STK581576
Synonyms: 3-benzyl-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1cccc2c1c1ncn(c(=O)c1[nH]2)Cc1ccccc1
STK581578
Synonyms: 2,8,10-trimethyl-4-(4-phenylpiperazin-1-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)c2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C
STK581580
Synonyms: N,N-dimethyl-N'-(8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)propane-1,3-diamine
Smiles: CN(CCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C)C
STK581582
Synonyms: tert-butyl(3S)-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(cc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
STK849628
Synonyms: propan-2-yl6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)COc1cc2c(cc1Br)oc(c2C(=O)OC(C)C)C
STK581584
Synonyms: 2,2'-dimethylbiphenyl-4,4'-diamine
Smiles: Nc1ccc(c(c1)C)c1ccc(cc1C)N
STK849631
Synonyms: N-benzyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccc(cc1OC)c1c(C)nn2c1nc(C)cc2NCc1ccccc1
STK581588
Synonyms: N-(3,5-dichlorophenyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Clc1cc(cc(c1)Cl)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK849632
Synonyms: (2E)-2-[2-(isoquinolin-1-yl)cyclohexylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C/1\CCCCC1c1nccc2c1cccc2
STK581591
Synonyms: methylN-[(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)carbonyl]-L-phenylalaninate
Smiles: COC(=O)[C@@H](NC(=O)N1CC(=O)Nc2c1cccc2)Cc1ccccc1
STK581594
Synonyms: 2-{[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl}-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(C(c2cc1OC)C)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F
STK849634
Synonyms: N-(4-methoxybenzyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccc(cc1)OC
STK581595
Synonyms: 6-chloro-7-methyl-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)cc(c(c3)Cl)C)/s1
STK581596
Synonyms: 5-chloro-N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
Smiles: Clc1ccc2c(c1)c(C)c(o2)C(=O)NCC(c1ccco1)N1CCCC1
STK581598
Synonyms: 5-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc2c(c1)c(=O)c(co2)C=C1C(=O)N(C)C(=O)N(C1=O)C
STK581602
Synonyms: 8,8-dimethyl-8,9-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]tetrazolo[1,5-a]pyrimidin-10-ol
Smiles: Oc1c2c(sc3c2CC(C)(C)OC3)nc2n1nnn2
STK581608
Synonyms: (3R)-2,2-dimethyl-5-oxo-N-(propan-2-yl)-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC(NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C
STK581617
Synonyms: 3-(benzylsulfanyl)-8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)nc(n1c2nnc1SCc1ccccc1)c1ccccc1
STK849635
Synonyms: 1-(3-bromophenyl)-7-chloro-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)Br)c(=O)c1c(o2)ccc(c1)Cl
STK581622
Synonyms: 5-ethyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-ol
Smiles: CCc1c(C)nc(nc1O)N1CCOCC1
STK849636
Synonyms: 5-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)C1CC(=C2C(=O)N(C)C(=O)N(C2=O)C)Nc2c(S1)cccc2
STK581626
Synonyms: benzyl[4-(dimethylamino)phenyl][hydroxy(pyridin-3-yl)methyl]phosphinate
Smiles: CN(c1ccc(cc1)P(=O)(C(c1cccnc1)O)OCc1ccccc1)C
STK581627
Synonyms: 6-chloro-7-methyl-4-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
Smiles: CC1CCCCN1Cc1cc(=O)oc2c1cc(Cl)c(c2)C
STK581632
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCc1ccccn1
STK581633
Synonyms: (1S)-1-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
Smiles: N[C@H](c1nnc(o1)SCC(=C)C)Cc1ccccc1
STK581635
Synonyms: N-(2,5-dimethoxyphenyl)-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C)OC
STK581636
Synonyms: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-1H-indole-2-carboxamide
Smiles: CCN1CCCC1CNC(=O)c1cc2c([nH]1)ccc(c2)F
STK849638
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)-4-oxo-4H-chromene-2-carboxamide
Smiles: COc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=O)(=O)C1
STK581639
Synonyms: 11-(furan-2-yl)-10-methyl-8-phenyl-2-(pyridin-2-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccccn1)c1ccccc1
STK849639
Synonyms: 3-(2-methoxyethyl)-1,7-dimethyl-8-(4-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(cc1)C)C
STK581646
Synonyms: 2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(pyridin-2-yl)acetamide
Smiles: O=C(Nc1ccccn1)Cc1nn2c(n1)nc(cc2C)C
STK581652
Synonyms: 2-[2-amino-5-(2-methoxyphenyl)pyrimidin-4-yl]-5-[(3,4-dichlorobenzyl)oxy]phenol
Smiles: COc1ccccc1c1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N
STK581653
Synonyms: N,1-dibenzyl-N-butyl-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C)Cc1ccccc1
STK581654
Synonyms: N-(2,5-dimethylphenyl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)C
STK849641
Synonyms: ethyl[(2Z)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)/C=C/c2ccc(cc2)OC)/[nH]1
STK581656
Synonyms: propan-2-yl{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)C
STK581657
Synonyms: 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccco2)/C1=O)NCCc1c[nH]c2c1cccc2
STK581658
Synonyms: (2E)-2-(4-hydroxyquinazolin-2-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)CC(O2)C)/c1nc(O)c2c(n1)cccc2
STK581661
Synonyms: methylN-[(5-chloro-2-methylphenyl)carbamoyl]-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc(Cl)ccc1C)CC(C)C
STK581662
Synonyms: methyl{[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C
STK581663
Synonyms: 1-(1-{6-[(2-methoxyphenyl)amino]-2-methylpyrimidin-4-yl}-5-methyl-1H-pyrazol-4-yl)ethanone
Smiles: COc1ccccc1Nc1nc(C)nc(c1)n1ncc(c1C)C(=O)C
STK581668
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(pyridin-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylicacid
Smiles: OC(=O)c1nnn(c1CSc1ccccn1)c1nonc1N
STK581674
Synonyms: ethyl6-hydroxy-4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4,5-dihydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=NC(=NC1c1ccc(cc1)OC)N1CCN(CC1)C)O
STK849644
Synonyms: methyl4-(7-chloro-2-methyl-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl
STK849645
Synonyms: 2-methyl-7-(2-methyl-1H-imidazol-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2n1ccnc1C)c1ccccc1
STK581683
Synonyms: 5-(2-chlorophenyl)-7-hydroxy-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: OC1=Nc2nc(C)[nH]c(=O)c2C(C1)c1ccccc1Cl
STK849646
Synonyms: N-[(2E)-5-(ethylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-7-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Smiles: CCSc1n[nH]/c(=N\C(=O)C2OC(=O)c3c(C2)ccc(c3)C)/s1
STK581688
Synonyms: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O
STK581693
Synonyms: 2-(4-oxo-3,4-dihydro-2H-1,3-benzoxazin-2-yl)phenyl2-methylprop-2-enoate
Smiles: CC(=C)C(=O)Oc1ccccc1C1NC(=O)c2c(O1)cccc2
STK849649
Synonyms: 2-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-7-methyl-4H-chromen-4-one
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1cc(=O)c2c(o1)cc(cc2)C
STK849650
Synonyms: (2Z)-2-(3-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-ylmethanesulfonate
Smiles: Cc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)C
STK581694
Synonyms: 3-cyclohexyl-5-[(naphthalen-1-ylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: Nn1c(SCc2cccc3c2cccc3)nnc1C1CCCCC1
STK581697
Synonyms: 6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCNCC1)COc1ccccc1
STK581699
Synonyms: 5-(2-chlorobenzyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1O)C1N(Cc2ccccc2Cl)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK581702
Synonyms: 4-hydroxy-1,6,7-trimethyl-8-phenyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1c(n2)n(c(c1C)C)c1ccccc1)C
STK581705
Synonyms: N,N-dimethyl-N'-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
Smiles: CN(CCCNc1cc(nc2n1nc(c2c1ccccc1)C)c1ccccc1)C
STK581707
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)Cn1c(O)nc2c(c1=O)cccc2
STK581709
Synonyms: (2Z)-1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)/C=C/1\NCCc2c1cc1OCCCOc1c2
STK849651
Synonyms: (3E)-3-{[(3-hydroxyphenyl)amino]methylidene}-2H-chromene-2,4(3H)-dione
Smiles: Oc1cccc(c1)N/C=C\1/C(=O)Oc2c(C1=O)cccc2
STK581714
Synonyms: tert-butyl(3S)-3-(1,3-thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1nccs1
STK581720
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-pentylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCCCNc1cc(C)nc2n1nc(c2c1ccccc1OC)C
STK581721
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-4,6,7-trimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1cc(OC)c(c2c1cc([nH]2)C(=O)N/N=C/c1ccccc1O)OC
STK581724
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1c(C)cccc1C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1
STK581725
Synonyms: N-[(2Z)-3-(2-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1Cc1ccccc1Cl)CS(=O)(=O)C2
STK581726
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethanamine
Smiles: CC1(C)OCCC(C1)(CCNCc1ccc2c(c1)OCO2)c1cccc(c1)C(F)(F)F
STK849654
Synonyms: 2-ethyl-5-methyl-3-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCc1nn2c(c1c1ccccc1)nc(cc2NCc1ccccn1)C
STK581730
Synonyms: 2,6-dihydroxy-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-3-[3-(trifluoromethyl)phenyl]pyrimidin-4(3H)-one
Smiles: O=C1OC(c2c1cccc2)c1c(O)nc(n(c1=O)c1cccc(c1)C(F)(F)F)O
STK581733
Synonyms: 3-(2-bromophenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-chromen-4-one
Smiles: CCN1CCN(CC1)Cc1c(O)ccc2c1occ(c2=O)Oc1ccccc1Br
STK581740
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbenzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1cccc(c1)C)C1CCS(=O)(=O)C1
STK581745
Synonyms: (6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCN(CC1)C
STK581750
Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-6-methyl-5-[4-(propan-2-yl)benzyl]-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1cc(C)nc(n1)n1[nH]c2c(c1=O)c(O)c(c(n2)C)Cc1ccc(cc1)C(C)C
STK581755
Synonyms: (2R)-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanamide
Smiles: O=C([C@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)NCCC1=CCCCC1
STK581757
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-(3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)OC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK581759
Synonyms: tert-butyl[(1S)-3-methyl-1-{5-[(2-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}butyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1C)NC(=O)OC(C)(C)C)C
STK581760
Synonyms: 7-benzyl-N-[2-(morpholin-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: O1CCN(CC1)CCNc1ncnc2c1c1CCN(Cc1s2)Cc1ccccc1
STK581761
Synonyms: 2-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)cc(n2)C
STK849657
Synonyms: 1-[5-(furan-2-yl)-3'-(4-methylphenyl)-1'-phenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]ethanone
Smiles: Cc1ccc(cc1)c1nn(cc1C1CC(=NN1C(=O)C)c1ccco1)c1ccccc1
STK581767
Synonyms: N-benzyl-3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCc1ccccc1
STK581768
Synonyms: 5-({2-[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(C(N1C(=S)S/C(=C\c2ccccc2F)/C1=O)C)Nc1ccc(c(c1)C(=O)O)O
STK849659
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NCCCN1CCOCC1
STK849661
Synonyms: N-[(2Z)-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1n[nH]/c(=N/C(=O)Cn2c(=O)sc3c2cccc3)/s1
STK581770
Synonyms: 5-[(2,6-dichlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1c(Cl)cccc1Cl
STK849662
Synonyms: tert-butyl{[4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
Smiles: O=C(OC(C)(C)C)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F
STK581777
Synonyms:
Smiles: CCC([C@H](C(=O)N/N=C/c1ccc2c(c1)nccn2)N)C
STK581784
Synonyms: 1-(3-ethoxy-4-hydroxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1O)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK849663
Synonyms: propyl4-{[5-(2,4-dihydroxyphenyl)-3-methyl-1H-pyrazol-4-yl]oxy}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)O
STK581788
Synonyms: (3a'S,6a'R)-5'-tert-butyl-3'-(3,4-dihydroxybenzyl)-5-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Cc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)Cc1ccc(c(c1)O)O)C(=O)N2
STK581789
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK581792
Synonyms: 2-fluoro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)c1ccccc1F
STK581795
Synonyms: tert-butyl(3S)-3-({2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)NCC1CCCO1
STK849665
Synonyms: ethyl2-methyl-4-(pyridin-4-yl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccncc1)c1ccccc1[nH]2
STK581803
Synonyms: 1-(4-fluorophenyl)-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)cccc1
STK581807
Synonyms: 2-benzyl-12-(2-methoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c1nc(nn1cn2)Cc1ccccc1)O
STK581810
Synonyms: N-benzyl-5-methoxy-N,3-dimethyl-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)N(Cc1ccccc1)C
STK581812
Synonyms: ethyl2-hydroxy-4-(propan-2-yl)-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: CCOC(=O)C1C(=Nc2n(C1C(C)C)c1ccccc1n2)O
STK581814
Synonyms: (3Z)-3-[4-hydroxy-1-(3-methoxypropyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]-N-methyl-5-phenylpyrazolidine-1-carbothioamide
Smiles: COCCCN1C(=O)N=C(/C(=C\2/NN(C(C2)c2ccccc2)C(=S)NC)/C1=O)O
STK581815
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(cc2)OCc2ccccc2F)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK581817
Synonyms: N-[(2Z)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1c1ccc(cc1)N(C)C)CS(=O)(=O)C2
STK581819
Synonyms: N-[2-(dimethylamino)ethyl]-5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CN(CCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCC2)C
STK581820
Synonyms: 3-[(3a'S,6a'R)-5-fluoro-5'-(2-methoxyethyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cc(F)cc2
STK849667
Synonyms: ethyl[7-hydroxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)nc(n2)C(F)(F)F
STK581821
Synonyms: 3-[(3a'S,6a'R)-5'-(butan-2-yl)-5-chloro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cc(Cl)cc2)C
STK849668
Synonyms: 1-benzyl-N-(3-ethoxypropyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCOCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C