FULL DB

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

STK545242
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(s1)SCc1ccccc1

STK545244
Synonyms: N-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-nitroaniline
Smiles: Cc1nn(c(c1/C=N/c1cccc(c1)[N+](=O)[O-])Cl)c1ccccc1

STK545245
Synonyms: 3-(2-methoxyphenyl)-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccccc1n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1

STK545246
Synonyms: (8S,8aR,11aS)-10-(4-butoxyphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=N1)C(=O)c1ccccc1

STK545247
Synonyms: 1-(piperidin-1-yl)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol
Smiles: C=CCc1ccccc1OCC(CN1CCCCC1)O

STK545248
Synonyms: N-[4-({[1,3-bis(2-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: COc1ccccc1N1C(=O)/C(=C/Nc2ccc(cc2)NC(=O)C)/C(=O)N(C1=S)c1ccccc1OC

STK545249
Synonyms: butyl4-[(8S,8aR,11aS)-9,11-dioxo-8-(phenylcarbonyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=N1)C(=O)c1ccccc1

STK545250
Synonyms: 4-amino-N'-[(E)-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene]-1,2,5-oxadiazole-3-carbohydrazonamide
Smiles: COc1ccc(cc1COc1ccccc1Cl)/C=N/N=C(/c1nonc1N)\N

STK545251
Synonyms: 2-[(2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
Smiles: O=C(N1CCCCC1)CSc1nc(nc2c1c1CCCCc1s2)c1ccccc1

STK545252
Synonyms: butyl2-amino-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)cc(c1)C

STK545255
Synonyms: (3aR,4S,9aR,9bS)-2-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)carbonyl]-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1

STK545256
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-N'-[(1E)-1-(3-nitrophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)N/N=C(/c1cccc(c1)[N+](=O)[O-])\C

STK545257
Synonyms: 2-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK545258
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}methylidene]-5-(2,3-dihydro-1H-indol-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)cc(c1OCc1ccccc1Cl)Br

STK545259
Synonyms: 3-methyl-2-(3-methylbutyl)-1-[(3-methylbutyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)NCCC(C)C

STK545261
Synonyms: (4Z)-4-(4-ethoxy-3,5-diiodobenzylidene)-2-(3-nitrophenyl)-1,3-oxazol-5(4H)-one
Smiles: CCOc1c(I)cc(cc1I)/C=C/1\N=C(OC1=O)c1cccc(c1)[N+](=O)[O-]

STK545262
Synonyms: N-[1-(1H-benzimidazol-2-yl)butyl]-4-fluorobenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)F

STK545264
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(3-methylbenzyl)oxy]phenyl}methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1cccc(c1)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N

STK545266
Synonyms: 2-benzyl-3-methyl-1-[4-(4-methylbenzyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(Cc2ccccc2)c(n2c1nc1c2cccc1)N1CCN(CC1)Cc1ccc(cc1)C

STK545267
Synonyms: ethyl4-cyano-5-[({[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccccc1

STK545268
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Cl)nc(c(c1c1cccs1)C#N)N

STK545270
Synonyms: 3-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1Cl)Br

STK545272
Synonyms: methyl2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c1CCC2

STK545273
Synonyms: N,N-diethyl-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3)CC

STK545274
Synonyms: (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(3-chlorophenyl)methanone
Smiles: CCc1c(C)nc2c(c1C)c(N)c(s2)C(=O)c1cccc(c1)Cl

STK545275
Synonyms: 2-(2,4-dimethoxy-3-methylphenyl)-1H-phenanthro[9,10-d]imidazole
Smiles: COc1ccc(c(c1C)OC)c1nc2c([nH]1)c1ccccc1c1c2cccc1

STK545276
Synonyms: 6-iodo-3-(2-methylphenyl)-2-[(2-phenoxyethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCCOc1ccccc1)c1ccccc1C

STK545277
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1CSc1nnc(s1)C)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N

STK545278
Synonyms: 3-[2-(4-ethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCc1ccc(cc1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545279
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-methoxyphenyl)methylidene]-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

STK545280
Synonyms: ethyl2-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4-{[3-(trifluoromethyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2-carboxylate
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F

STK545281
Synonyms: N-[2-(dimethylamino)ethyl]-10H-phenothiazine-10-carboxamide
Smiles: CN(CCNC(=O)N1c2ccccc2Sc2c1cccc2)C

STK545282
Synonyms: 3-{4-[(5E)-5-{2-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])/S1

STK545283
Synonyms: N'-[(E)-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl}methylidene]-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
Smiles: COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)/C=N/NC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-]

STK545284
Synonyms: 2-nitro-N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C\c2cccnc2)/C(=O)N1NC(=O)c1ccccc1[N+](=O)[O-]

STK545286
Synonyms: 2-(4-methoxyphenyl)-3-{2-[2-(propan-2-yl)phenoxy]ethyl}quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccccc1C(C)C

STK545288
Synonyms: 1-(4-bromophenyl)-3-hydroxy-5-(3-nitrophenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1

STK545289
Synonyms: (8S,8aR,11aS)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2)c1cccc(c1)[N+](=O)[O-]

STK545290
Synonyms: [3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-chlorophenyl)methanone
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1Cl)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Br

STK545291
Synonyms: 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-iodo-3-(naphthalen-1-yl)quinazolin-4(3H)-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/c1nc2ccc(cc2c(=O)n1c1cccc2c1cccc2)I

STK545293
Synonyms: 3-[(4-chlorophenyl)sulfonyl]-1-(4-methylphenyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Cc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK545294
Synonyms: N-benzyl-N-[3-(4-methoxyphenyl)-4-phenylbutyl]propanamide
Smiles: CCC(=O)N(Cc1ccccc1)CCC(c1ccc(cc1)OC)Cc1ccccc1

STK545295
Synonyms: ethyl2-[({[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(o2)c2sc3c(c2Cl)cccc3)sc2c1CCC2

STK545296
Synonyms: N-[2-(dimethylamino)ethyl]-3-methyl-2-phenylbutanamide
Smiles: CC(C(c1ccccc1)C(=O)NCCN(C)C)C

STK545297
Synonyms: (2Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Smiles: CCOc1ccc(cc1OC)/C=C(\C(=O)Nc1nnc(s1)C(C)C)/C#N

STK545298
Synonyms: 1-butyl-5-(2-fluorophenyl)-3-hydroxy-4-[(4-nitrophenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccc(cc1)[N+](=O)[O-])O

STK545299
Synonyms: (1'R,2'R)-2'-(2,5-dimethoxyphenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1ccc(c(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)OC

STK545300
Synonyms: 1-amino-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbohydrazide
Smiles: NNC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK545301
Synonyms: N-(2-methylphenyl)phenazine-1-carboxamide
Smiles: Cc1ccccc1NC(=O)c1cccc2c1nc1ccccc1n2

STK545302
Synonyms: methyl4-{6-[(2,4-dimethoxyphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(=O)OC)c(nn1c1ccccc1)C

STK545304
Synonyms: 1-(4-chlorophenyl)-3-(triphenyl-lambda~5~-phosphanylidene)pyrrolidine-2,5-dione
Smiles: Clc1ccc(cc1)N1C(=O)CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O

STK545305
Synonyms: diethyl[(2,4-dichlorophenyl)(phenylamino)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccc(cc1Cl)Cl)Nc1ccccc1)OCC

STK545306
Synonyms: 3-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1c(C)cc(cc1C)Cl

STK545307
Synonyms: N-(2,4-dimethylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK545308
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CN1CCc2c1cccc2)C(=O)N/N=C(/c1ccccc1O)\C

STK545309
Synonyms: 2-imino-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)C)nc1n(c2=O)cccc1

STK545310
Synonyms: butyl[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
Smiles: CCCCOC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)Cc1ccccc1)C#N

STK545311
Synonyms: N'~1~,N'~10~-bis[(E)-(4-hydroxyphenyl)methylidene]decanedihydrazide
Smiles: O=C(N/N=C/c1ccc(cc1)O)CCCCCCCCC(=O)N/N=C/c1ccc(cc1)O

STK545312
Synonyms: 4-bromobenzylN'-cyano-N-propan-2-ylcarbamimidothioate
Smiles: CC(N/C(=N/C#N)/SCc1ccc(cc1)Br)C

STK545313
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}methylidene]-5-[(diethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Br)c(c(c1)OC)OCc1ccccc1Cl)CC

STK545314
Synonyms: ethyl4-{[11-(4-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK545315
Synonyms: 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Smiles: CCCCCN(C1CC(=O)N(C1=O)c1ccc(cc1)OCCC)CCCCC

STK545316
Synonyms: (4Z)-4-(4-ethoxy-3,5-diiodobenzylidene)-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: CCOc1c(I)cc(cc1I)/C=C/1\N=C(OC1=O)c1cccs1

STK545317
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(2,4-dichlorobenzyl)oxy]phenyl}methylidene]-5-(2,3-dihydro-1H-indol-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N

STK545318
Synonyms: 4-{[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl](4-methoxybenzyl)amino}-4-oxobutanoicacid
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)CCC(=O)O)Cc1ccc(cc1)OC

STK545319
Synonyms: 2-[(4-methylbenzyl)sulfanyl]-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Cc1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3

STK545321
Synonyms: 2-ethoxy-4-{(Z)-[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenylbutanoate
Smiles: CCCC(=O)Oc1ccc(cc1OCC)/C=C/1\N=C(OC1=O)c1cccc(c1)[N+](=O)[O-]

STK545322
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Smiles: N#Cc1c(SCC(=O)NCCc2ccc(c(c2)OC)OC)nc(c(c1c1cccs1)C#N)N

STK545324
Synonyms: 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: CC(N1C(=O)S/C(=C\c2ccccc2)/C1=O)C(=O)O

STK545327
Synonyms: 4-methyl-N-{3-[(4-methylphenyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1n(CC2CCCO2)c2c(c1S(=O)(=O)c1ccc(cc1)C)nc1c(n2)cccc1

STK545328
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)C)\C)CC

STK545331
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N'-(propan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)NN=C(C)C

STK545332
Synonyms: 4-amino-N'-[(E)-{5-chloro-2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene]-1,2,5-oxadiazole-3-carbohydrazonamide
Smiles: Clc1ccc(c(c1)/C=N/N=C(/c1nonc1N)\N)OCc1c(F)cccc1Cl

STK545335
Synonyms: 2-methoxyethyl2-amino-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)OCCOC

STK545336
Synonyms: 2-(tert-butylamino)-2-oxoethylN'-cyano-N-(4-fluorophenyl)carbamimidothioate
Smiles: N#C/N=C(/Nc1ccc(cc1)F)\SCC(=O)NC(C)(C)C

STK545337
Synonyms: 2-({2-[(4-chlorophenyl)sulfonyl]ethyl}sulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCCS(=O)(=O)c2ccc(cc2)Cl)nc(cc1C(F)(F)F)c1cccs1

STK545338
Synonyms: (8S,8aR,11aS)-10-(2,4-dichlorophenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)cccc3

STK545340
Synonyms: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetamide
Smiles: N#Cc1cc2CCCCCc2nc1SCC(=O)Nc1sc2c(c1C#N)CCCC2

STK545341
Synonyms: methyl5-chloro-3-{[3-(3,3-dimethyl-6-azabicyclo[3.2.1]oct-6-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CC3CC1CC(C3)(C)C)cc(cc2)Cl

STK545343
Synonyms: 2-ethyl-1-[4-(4-methoxybenzyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)Cc1ccc(cc1)OC)c1ccccc1n2

STK545344
Synonyms: 11-(4-fluorophenyl)-3-(4-methoxyphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)F)C(=O)/C=C/c1ccccc1

STK545345
Synonyms: 2-bromo-4-nitro-6-[(E)-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]imino}methyl]phenol
Smiles: CC(C12CC3CC(C2)CC(C1)C3)/N=C/c1cc(cc(c1O)Br)[N+](=O)[O-]

STK545346
Synonyms: (8R,8aS,11aR)-10-(3-nitrophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C([C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK545347
Synonyms: 2-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc(cc1c1cccs1)C

STK545348
Synonyms: N'-{(E)-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nc(cc2C)[N+](=O)[O-])cc(c1OCc1ccccc1)Br

STK545350
Synonyms: 4-(5,10-diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)-2-ethoxyphenol
Smiles: CCOc1cc(ccc1O)c1nc2c([nH]1)c1cc(I)ccc1c1c2cc(I)cc1

STK545351
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(1E)-1-[4-(benzyloxy)-3-methoxyphenyl]ethylidene}-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(ccc1OCc1ccccc1)/C(=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N)/C

STK545352
Synonyms: butylcyano[3-(piperidin-1-yl)quinoxalin-2-yl]acetate
Smiles: CCCCOC(=O)C(c1nc2ccccc2nc1N1CCCCC1)C#N

STK545354
Synonyms: 3-[(4-chlorophenyl)sulfonyl]-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl

STK545356
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OCc1ccccc1

STK545357
Synonyms: ethyl4-{3-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)carbonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1)OC)C(=O)c1ccc(cc1)OC)O

STK545358
Synonyms: [3-(3-{[(2-chlorophenyl)carbonyl]amino}pyridinium-1-yl)quinoxalin-2-yl](phenylsulfonyl)azanide
Smiles: O=C(c1ccccc1Cl)Nc1ccc[n+](c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1

STK545360
Synonyms: ethyl(2E)-3-(3,4-diethoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoate
Smiles: CCOC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccccc1

STK545361
Synonyms: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Smiles: N#Cc1cc2CCCCc2nc1SCC(=O)Nc1sc2c(c1C#N)CCC2

STK545362
Synonyms: 2-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2c(c1c1ccccc1)CCC2

STK545363
Synonyms: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK545364
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(4-propoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN(CC)CC)c1nonc1N

STK545365
Synonyms: 8-chloro-N-[2-(4-fluorophenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: Fc1ccc(cc1)CCNc1ncnc2c1[nH]c1c2cc(cc1)Cl

STK545366
Synonyms: 4-{4-(4-chlorophenyl)-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2C)nnc1c1ccncc1

STK545368
Synonyms: {3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1OC

STK545369
Synonyms: 1-benzyl-2-{[(4-chlorophenyl)sulfonyl]amino}-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1n(Cc2ccccc2)c2c(c1C(=O)NCCc1ccccc1)nc1c(n2)cccc1

STK545370
Synonyms: 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N'-{(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}benzohydrazide
Smiles: O=C(c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-])N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK545371
Synonyms: methyl4-[3-(4-tert-butylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

STK545372
Synonyms: N-(4-bromophenyl)-2-[(2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc(nc2c1c1CCCCc1s2)c1ccccc1

STK545373
Synonyms: (1'R,2'R)-1'-[(4-methoxyphenyl)carbonyl]-2'-(3-nitrophenyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1

STK545374
Synonyms: 2-(4-methoxyphenyl)-3-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethyl}quinazolin-4(3H)-one
Smiles: C=CCc1ccc(c(c1)OC)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545377
Synonyms: methyl[6-bromo-2-(4-nitrophenyl)-4-phenyl-1,4-dihydroquinazolin-3(2H)-yl]acetate
Smiles: COC(=O)CN1C(Nc2c(C1c1ccccc1)cc(cc2)Br)c1ccc(cc1)[N+](=O)[O-]

STK545378
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2cccc(c2)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545379
Synonyms: 7-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c(ncn1)N1CCN(CC1)C

STK545380
Synonyms: 2,7-bis{[4-(4-chlorobenzyl)piperazin-1-yl]sulfonyl}-9H-fluoren-9-one
Smiles: Clc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1c2ccc(c1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl

STK545381
Synonyms: butyl2-amino-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccc(cc1)OC

STK545383
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(3-chlorobenzyl)oxy]phenyl}methylidene]-5-(2,3-dihydro-1H-indol-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Clc1cccc(c1)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N

STK545384
Synonyms: 3-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1)C(C)(C)C

STK545385
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N'-[(1E)-2-phenylpropylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/C(c1ccccc1)C

STK545386
Synonyms: 1-methoxypropan-2-yl2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1)C

STK545387
Synonyms: 6-methyl-4-(4-nitrophenyl)-6-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
Smiles: CC1(C2C1C(=NO2)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK545388
Synonyms: (2Z)-2-(diphenylphosphoryl)-3-hydroxybut-2-enenitrile
Smiles: N#C/C(=C(/O)\C)/P(=O)(c1ccccc1)c1ccccc1

STK545389
Synonyms: ethylN-(3-cyano-5-nitropyridin-2-yl)glycinate
Smiles: CCOC(=O)CNc1ncc(cc1C#N)[N+](=O)[O-]

STK545390
Synonyms: 2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3)CCC

STK545391
Synonyms: (6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1NC(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)Br)N1[C@@H]2C=Cc2c1cccc2

STK545392
Synonyms: (6aS,6bR,9aS,10R)-10-[(3-bromo-4-methoxyphenyl)carbonyl]-8-(3-fluorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)F)C=Cc1c2cccc1

STK545393
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3

STK545394
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(2-chloro-4-fluorobenzyl)oxy]-3-methoxyphenyl}methylidene]-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)ccc1OCc1ccc(cc1Cl)F

STK545395
Synonyms: 1-[(3,5-dichlorophenyl)amino]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(CCC(C)C)c(n2c1nc1c2cccc1)Nc1cc(Cl)cc(c1)Cl

STK545396
Synonyms: 1-benzyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: CNC(=O)c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1

STK545397
Synonyms: 5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1,3-bis(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=O)/C(=C/NCCCn2cncc2)/C(=O)N(C1=S)c1ccccc1OC

STK545398
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]cyclohexanecarboxamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)C1CCCCC1

STK545399
Synonyms: (8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(2,4-dimethylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C)cccc3

STK545400
Synonyms: (5E)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/S1

STK545401
Synonyms: methyl5-cyano-4-(4-methoxyphenyl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCC(=O)Nc1cccc(c1)OC

STK545402
Synonyms: 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: Fc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

STK545403
Synonyms: (8R,8aS,11aR,11bR)-10-(1,3-benzodioxol-5-yl)-8-[(3-bromo-4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3

STK545404
Synonyms: 11-(4-tert-butylphenyl)-N-(3-chloro-4-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccc(c(c2)Cl)F)nc2c1cccc2)c1ccccc1

STK545406
Synonyms: N-(diphenylmethyl)-2-[(5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)NC(c1ccccc1)c1ccccc1)nn2)CCCC3

STK545407
Synonyms: 3-[2-(4-ethoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545408
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc(cc1c1cccs1)c1ccccc1

STK545409
Synonyms: 2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]-4-ethyl-9,10-diphenylhexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Smiles: COc1cc(ccc1OC)CCN1C(=O)C2C(C1=O)C1(CC)C3C(C2C(=C1c1ccccc1)c1ccccc1)C(=O)N(C3=O)CCc1ccc(c(c1)OC)OC

STK545410
Synonyms: (8S,8aR,11aS)-10-(3-bromophenyl)-8-[(4-chlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)Br)cccc3

STK545411
Synonyms: 2-(3-{2-[(2-chlorophenyl)carbonyl]hydrazinyl}-3-oxopropyl)hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)NNC(=O)c1ccccc1Cl

STK545412
Synonyms: N-(2,5-dimethylphenyl)-11-(4-ethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)ccc1C)nc1c2cccc1

STK545413
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)ccc1OCc1ccc(cc1)Cl

STK545414
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(3-chlorobenzyl)oxy]phenyl}methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)OCc1cccc(c1)Cl

STK545415
Synonyms: 3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OCCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCOCC)C

STK545416
Synonyms: pentyl(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)acetate
Smiles: Cc1nc(S)[nH]c(=O)c1CC(=O)OCCCCC

STK545417
Synonyms: 2-{[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)C(C)C

STK545418
Synonyms: [3-(4-benzylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl][(4-bromophenyl)sulfonyl]azanide
Smiles: Brc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2ccc(cc2)Cc2ccccc2)C(=O)c2c(C1=O)cccc2

STK545419
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[3-cyano-6-(4-methoxyphenyl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c(c(c1)c1cccs1)C#N

STK545420
Synonyms: N-(2-{(2Z)-2-[1-(3-cyanopropyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-4-methoxybenzamide(non-preferredname)
Smiles: N#CCCCN1c2ccccc2/C(=N/NC(=O)CNC(=O)c2ccc(cc2)OC)/C1=O

STK545421
Synonyms: butyl2-amino-1-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)OC)OC

STK545422
Synonyms: 2-(2-cyanoethyl)-1-{[2-(dimethylamino)ethyl]amino}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#CCCc1c(C)c(C#N)c2n(c1NCCN(C)C)c1ccccc1n2

STK545423
Synonyms: N-{1,1,1,3,3,3-hexafluoro-2-[2-(4-fluorophenyl)hydrazinyl]propan-2-yl}-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(C(F)(F)F)(C(F)(F)F)NNc1ccc(cc1)F

STK545424
Synonyms: 3-[2-(4-chloro-3-ethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCc1cc(OCCn2c(nc3c(c2=O)cccc3)c2ccc(cc2)OC)ccc1Cl

STK545426
Synonyms: (3E)-N-(3-chloro-4-methoxyphenyl)-3-(2-{[(3-methoxyphenyl)amino](oxo)acetyl}hydrazinylidene)butanamide
Smiles: COc1cccc(c1)NC(=O)C(=O)N/N=C(/CC(=O)Nc1ccc(c(c1)Cl)OC)\C

STK545427
Synonyms: 2-imino-N,1-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: CNC(=O)c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1

STK545428
Synonyms: 1-benzyl-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)Cc1ccccc1)nc1n(c2=O)cccc1)NCCc1ccccc1

STK545429
Synonyms: 3-hydroxy-1-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)O)C(=O)C(=C1C(=O)c1ccccc1)O

STK545431
Synonyms: 3-amino-N-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Cc1ccc(cc1Cl)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK545433
Synonyms: (3aR,4S,9aR,9bS)-4-[(3-bromo-4-methoxyphenyl)carbonyl]-2-(4-bromophenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)C(=O)c1ccccc1

STK545434
Synonyms: 4-[(4-chlorophenyl)carbonyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(ccc1OC)C1N(c2ccc(cc2)OC)C(=O)C(=C1C(=O)c1ccc(cc1)Cl)O

STK545436
Synonyms: N-(4-chloro-3-nitrophenyl)-11-(4-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)[N+](=O)[O-])Cl)c1ccccc1

STK545439
Synonyms: 2-{[6-iodo-3-(3-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK545441
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)c1nnn(c1CN1CCN(CC1)C)c1nonc1N)OC

STK545442
Synonyms: 2-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
Smiles: Clc1ccc(c(c1)Cl)C1=NC(N=C(O1)N1CCOCC1)(C(F)(F)F)C(F)(F)F

STK545443
Synonyms: 3-hydroxy-1-(3-hydroxypropyl)-4-[(4-methylphenyl)carbonyl]-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: OCCCN1C(c2ccc(cc2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(cc1)C

STK545444
Synonyms: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(trifluoromethoxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)OC(F)(F)F)(C#N)C#N

STK545445
Synonyms: ethyl6-amino-5-cyano-2-(4-methoxyphenyl)-4-phenyl-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1ccccc1)C#N)N)c1ccc(cc1)OC

STK545446
Synonyms: 7-tert-butyl-3-(3-methylphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC(C3)C(C)(C)C

STK545447
Synonyms: 3-(4-methoxyphenyl)-3a-(4-nitrophenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(cc1)C1N(OC2C1(c1ccc(cc1)[N+](=O)[O-])C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK545449
Synonyms: 2-[(6,6-dimethyl-2-phenyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-methyl-N-phenylacetamide
Smiles: CN(c1ccccc1)C(=O)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545450
Synonyms: 3-[(2-methylprop-2-en-1-yl)sulfanyl]-5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK545451
Synonyms: 1-butyl-5-(2-fluorophenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccc(cc1)OC)O

STK545453
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-N'-[(E)-{3-ethoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)ccc1OCc1ccccc1C

STK545454
Synonyms: (6aS,6bR,9aS,10R)-8-(4-acetylphenyl)-10-(1H-benzotriazol-1-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2

STK545455
Synonyms: (6aS,6bR,9aS,10R)-10-[(3-bromo-4-methoxyphenyl)carbonyl]-8-(2-fluorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1F)C=Cc1c2cccc1

STK545456
Synonyms: 1-benzyl-2-{[(2-chlorophenyl)carbonyl]amino}-N-hexyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCNC(=O)c1c(NC(=O)c2ccccc2Cl)n(c2c1nc1ccccc1n2)Cc1ccccc1

STK545458
Synonyms: 3-[(dimethylamino)methyl]-2,7,8-trimethylquinolin-4-ol
Smiles: CN(Cc1c(C)nc2c(c1O)ccc(c2C)C)C

STK545459
Synonyms: (8S,8aR,11aS)-10-(3-chlorophenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK545460
Synonyms: methyl2-(acetylamino)-3,3,3-trifluoro-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)S(=O)(=O)C)NC(=O)C

STK545461
Synonyms: 1-[(4-tert-butylbenzyl)oxy]-3-[4-(decyloxy)phenyl]quinoxalin-2(1H)-one4-oxide
Smiles: CCCCCCCCCCOc1ccc(cc1)c1[n+]([O-])c2ccccc2n(c1=O)OCc1ccc(cc1)C(C)(C)C

STK545462
Synonyms: 4-(3,5-dimethylpiperidin-1-yl)-8-methyl-5H-pyrimido[5,4-b]indole
Smiles: CC1CC(C)CN(C1)c1ncnc2c1[nH]c1c2cc(cc1)C

STK545463
Synonyms: 7-(benzylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: c1ccc(cc1)CSc1ncnc2c1sc1c2c2CCCc2c(n1)c1ccccc1

STK545464
Synonyms: ethyl7,8-dichloro-4-{[4-(morpholin-4-yl)phenyl]amino}quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)N1CCOCC1)ccc(c2Cl)Cl

STK545466
Synonyms: 4-[(4-bromophenyl)carbonyl]-5-(4-chlorophenyl)-3-hydroxy-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: C=CCN1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)c1ccc(cc1)Br)O

STK545468
Synonyms: 11-[4-(benzyloxy)phenyl]-3-(4-methylphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCC(=O)N1C(c2ccc(cc2)OCc2ccccc2)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccc(cc1)C

STK545472
Synonyms: (8S,8aR,11aS)-10-(4-bromophenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK545473
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(ccc1O)/C(=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)/C

STK545474
Synonyms: 2-{4-[(1E)-1-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]-2-methoxyphenoxy}acetamide
Smiles: COc1cc(ccc1OCC(=O)N)/C(=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N)/C

STK545475
Synonyms: 11-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)C(C)(C)C)C(=O)C(F)(F)F

STK545476
Synonyms: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(3,5-dichlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl)cccc3

STK545477
Synonyms: methyl4-{[({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545478
Synonyms: 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N'-{(E)-[5-(3-nitrophenyl)furan-2-yl]methylidene}benzohydrazide
Smiles: O=C(c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-])N/N=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-]

STK545479
Synonyms: ethyl4-{[11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1OC)C)c1ccccc1

STK545480
Synonyms: 1-(4-benzylpiperazin-1-yl)-3-methyl-2-phenylbutan-1-one
Smiles: CC(C(C(=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1)C

STK545481
Synonyms: 2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCc3c(C2)cc(c(c3)OC)OC)nc(cc1c1ccccc1)c1cccs1

STK545482
Synonyms: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545483
Synonyms: (9E)-9-(2,4-dichlorobenzylidene)-5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: COc1ccc(cc1)c1csc2=NC3=C(C(n12)c1ccc(cc1Cl)Cl)CCC/C/3=C\c1ccc(cc1Cl)Cl

STK545485
Synonyms: (2Z)-2-(2,6-dichlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one
Smiles: O=C1C2CCN(/C/1=C\c1c(Cl)cccc1Cl)CC2

STK545486
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{2-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxyphenyl}methylidene]-5-(2,3-dihydro-1H-indol-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cccc(c1OCc1c(F)cccc1Cl)/C=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N

STK545487
Synonyms: (2E)-3-(4-bromophenyl)-N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}prop-2-enamide
Smiles: S=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)NC(=O)/C=C/c1ccc(cc1)Br

STK545488
Synonyms: ethyl4-{[10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK545489
Synonyms: 3-[2-(2-bromo-4-chlorophenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1Br)Cl

STK545491
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(naphthalen-1-yl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)C(=O)c1ccccc1

STK545492
Synonyms: 3-[2-(4-iodophenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1)I

STK545496
Synonyms: 3-(2-chlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1oc(c(c2=O)c1ccccc1Cl)C(F)(F)F

STK545497
Synonyms: 2-{[3-cyano-4-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)NC2=C(C1c1ccccc1F)C(=O)CCC2

STK545498
Synonyms: 2-(4-methoxyphenyl)-3-{2-[2-(prop-2-en-1-yl)phenoxy]ethyl}quinazolin-4(3H)-one
Smiles: C=CCc1ccccc1OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545500
Synonyms: 1-(4-bromophenyl)-3-[(4-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1OC)C1C=C(C(=O)N1c1ccc(cc1)Br)Nc1ccc(cc1)Br

STK545501
Synonyms: {4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Smiles: Fc1cccc(c1)Nc1nc(c(s1)C(=O)C12CC3CC(C2)CC(C1)C3)N

STK545504
Synonyms: 1,1'-piperazine-1,4-diylbis[3-(4-bromophenoxy)propan-2-ol]
Smiles: OC(CN1CCN(CC1)CC(COc1ccc(cc1)Br)O)COc1ccc(cc1)Br

STK545505
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)Cl)nc(c(c1c1cccs1)C#N)N

STK545506
Synonyms: (3aR,4S,9aR,9bS)-2-(4-bromophenyl)-4-[(4-chlorophenyl)carbonyl]-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)C(=O)c1ccccc1

STK545507
Synonyms: 5-(2,4-dichlorophenyl)-3-hydroxy-4-[(4-methoxy-2-methylphenyl)carbonyl]-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COCCCN1C(=O)C(=C(C1c1ccc(cc1Cl)Cl)C(=O)c1ccc(cc1C)OC)O

STK545508
Synonyms: 6-bromo-4-(2-chlorophenyl)-3-(morpholin-4-yl)-3,4-dihydroquinolin-2(1H)-one
Smiles: Brc1ccc2c(c1)C(C(C(=O)N2)N1CCOCC1)c1ccccc1Cl

STK545509
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OCc1ccccc1

STK545510
Synonyms: propan-2-yl2-amino-1-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COc1cc(OC)ccc1n1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK545511
Synonyms: N-[1-(1-benzyl-1H-benzimidazol-2-yl)ethyl]-3-chlorobenzamide
Smiles: Clc1cccc(c1)C(=O)NC(c1nc2c(n1Cc1ccccc1)cccc2)C

STK545512
Synonyms: N'-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl

STK545513
Synonyms: 3-[3-(4-tert-butylphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1)C(C)(C)C

STK545514
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-{4-[(4-bromobenzyl)oxy]phenyl}ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Brc1ccc(cc1)COc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1C)c1nonc1N)/C

STK545515
Synonyms: ethyl3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
Smiles: CCOC(=O)CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)Cc1ccccc1)c1ccccc1n2

STK545517
Synonyms: (8S,8aR,11aS)-8-[(4-methoxyphenyl)carbonyl]-10-[2-(trifluoromethyl)phenyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F)cccc3

STK545518
Synonyms: 2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Cc1cc(C)cc(c1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCC1=CCCCC1

STK545519
Synonyms: 2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)CCCCC3)CCC

STK545520
Synonyms: 3-(1-benzyl-1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
Smiles: Cc1cccc(c1)N1C(=O)CC(C1=O)c1cn(c2c1cccc2)Cc1ccccc1

STK545521
Synonyms: 2-{[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(3-chlorobenzyl)acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)NCc1cccc(c1)Cl)c1ccc2c(c1)OCO2

STK545522
Synonyms: N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}pyridine-4-carboxamide
Smiles: S=C(Nc1ccc(cc1)S(=O)(=O)NC(=N)N)NC(=O)c1ccncc1

STK545523
Synonyms: 2-[(3-fluorobenzyl)sulfanyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)F)nc2c(c1=O)cccc2

STK545525
Synonyms: 3-(hexylsulfanyl)-5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCCCSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK545526
Synonyms: 1-(4-fluorophenyl)-3-hydroxy-5-(2-methoxyphenyl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccccc1C1C(=C(C(=O)N1c1ccc(cc1)F)O)C(=O)c1ccccc1

STK545527
Synonyms: 2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N,N-dipropylacetamide
Smiles: CCCn1c(SCC(=O)N(CCC)CCC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545528
Synonyms: N-(4-phenylbutan-2-yl)-2-[(2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: CC(NC(=O)CSc1nc(nc2c1c1CCCCc1s2)c1ccccc1)CCc1ccccc1

STK545529
Synonyms: 2-(4-chlorophenyl)-3-{6-[2-(propan-2-yloxy)phenoxy]hexyl}quinazolin-4(3H)-one
Smiles: CC(Oc1ccccc1OCCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl)C

STK545530
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(4-chlorobenzyl)oxy]phenyl}methylidene]-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)OCc1ccc(cc1)Cl

STK545531
Synonyms: ethyl(3Z)-3-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indole-1-carboxylate
Smiles: CCOC(=O)N1C(=O)/C(=N\NC(=O)c2nnn(c2C)c2nonc2N)/c2c1cccc2

STK545532
Synonyms: 2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6-iodo-3-(3-methylphenyl)quinazolin-4(3H)-one
Smiles: C/C(=C\CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I)/Cl

STK545533
Synonyms: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-{[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc(cc1c1ccc(cc1)F)c1cccs1

STK545536
Synonyms: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3-chlorophenyl)-1H-pyrrole-2,5-dione
Smiles: Clc1cccc(c1)N1C(=O)C(=C(C1=O)N1CCN(CC1)Cc1ccccc1)Cl

STK545538
Synonyms: 1-(4-acetylphenyl)-5-(2-fluorophenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccccc1)O

STK545539
Synonyms: 2-{[6-iodo-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I

STK545541
Synonyms: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2[nH]ncc2)cc(c1O)Br

STK545542
Synonyms: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]acetamide
Smiles: N#Cc1cc(C)c(nc1SCC(=O)Nc1sc2c(c1C#N)CCC2)CC

STK545543
Synonyms: 8-chloro-4-(pyrrolidin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCCC1

STK545544
Synonyms: methyl5-chloro-3-{[3-(3-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)C)cc(cc2)Cl

STK545545
Synonyms: N-{2-[2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]ethyl}-2,4-dichlorobenzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK545546
Synonyms: 3-amino-6-ethyl-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)NC(C12CC3CC(C2)CC(C1)C3)C

STK545547
Synonyms: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-{[3-cyano-6-(thiophen-2-yl)-4-(thiophen-3-yl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc(cc1c1ccsc1)c1cccs1

STK545548
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK545549
Synonyms: (5Z)-3-(3,5-dichlorophenyl)-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Clc1cc(Cl)cc(c1)N1C(=S)S/C(=C\c2cccnc2)/C1=O

STK545550
Synonyms: (4bS,7aR,8S)-6-(4-chlorophenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)N=CC=C1

STK545551
Synonyms: 7-{4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: S=C(N1CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1)Nc1ccc(cc1)C(=O)C

STK545552
Synonyms: [3-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
Smiles: Clc1nc2cc3OCCOc3cc2cc1C1=NN(C(C1)c1ccccc1)C(=O)c1ccccc1

STK545554
Synonyms: N-(4-methoxyphenyl)-2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK545557
Synonyms: 11-(3-bromophenyl)-N-(2,4-dichlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1Cl)Cl)c1ccccc1

STK545560
Synonyms: 6-(benzylsulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C)C

STK545562
Synonyms: 3,5-bis(4-bromophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1

STK545563
Synonyms: N-{2-[2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]ethyl}-4-methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK545564
Synonyms: 3,3'-(benzene-1,4-diyldimethanediyl)bis{5-[(2,4-dimethylphenyl)amino]-1,3-thiazolidine-2,4-dione}
Smiles: Cc1ccc(c(c1)C)NC1SC(=O)N(C1=O)Cc1ccc(cc1)CN1C(=O)SC(C1=O)Nc1ccc(cc1C)C

STK545567
Synonyms: butyl2-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(F)(F)F

STK545569
Synonyms: 1-methoxypropan-2-yl2-amino-1-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)OCC)C

STK545570
Synonyms: N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)furan-2-carboxamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccco1

STK545572
Synonyms: 7-[4-(diethylamino)phenyl]-N,N-diethyl-7H-chromeno[2',3':4,5]pyrimido[1,6-a]benzimidazol-3-amine
Smiles: CCN(c1ccc(cc1)C1N=C2Oc3cc(ccc3C=C2c2n1c1ccccc1n2)N(CC)CC)CC

STK545573
Synonyms: ethyl4-{[11-(3,4-dimethoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)OC)c(nn1c1ccccc1)C

STK545574
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-bromo-4-methylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)Br)C)nc(c(c1c1cccs1)C#N)N

STK545575
Synonyms: 4-[(diphenylacetyl)oxy]benzoicacid
Smiles: O=C(C(c1ccccc1)c1ccccc1)Oc1ccc(cc1)C(=O)O

STK545576
Synonyms: (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/S1

STK545578
Synonyms: 1-(9H-carbazol-9-yl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-2-ol
Smiles: Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC(Cn1c2ccccc2c2c1cccc2)O

STK545580
Synonyms: 2-(2-amino-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-1-yl)ethyl4-nitrobenzoate
Smiles: N#Cc1c(N)n(c2c1nc1ccccc1n2)CCOC(=O)c1ccc(cc1)[N+](=O)[O-]

STK545581
Synonyms: [3-(3,4-dimethylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl](thiophen-2-ylsulfonyl)azanide
Smiles: O=C1C(=C([N-]S(=O)(=O)c2cccs2)C(=O)c2c1cccc2)[n+]1ccc(c(c1)C)C

STK545582
Synonyms: N-(6-nitro-4-phenylquinazolin-2-yl)alanine
Smiles: OC(=O)C(Nc1nc2ccc(cc2c(n1)c1ccccc1)[N+](=O)[O-])C

STK545584
Synonyms: 4-(phenylcarbonyl)phenyl(6aS,6bR,9aS,10R)-8-(4-methylphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Smiles: O=C([C@H]1[C@@H]2[C@H]([C@H]3N1c1ccccc1C=C3)C(=O)N(C2=O)c1ccc(cc1)C)Oc1ccc(cc1)C(=O)c1ccccc1

STK545585
Synonyms: methyl3,3,3-trifluoro-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-N-[(4-methylphenyl)carbonyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1)C)Nc1nc2c(s1)cccc2C

STK545587
Synonyms: 2-amino-1-cyclohexyl-N-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCCC1

STK545588
Synonyms: ethyl2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(o2)CSc2nc3c(s2)cccc3)sc2c1CCCC2

STK545590
Synonyms: prop-2-en-1-yl2-amino-1-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: C=CCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)O

STK545591
Synonyms: 2-phenoxy-6-phenylpyrimidine-4-carboxamide
Smiles: NC(=O)c1nc(Oc2ccccc2)nc(c1)c1ccccc1

STK545592
Synonyms: 4-{(1,3-benzodioxol-5-ylmethyl)[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)F)Cc1ccc2c(c1)OCO2

STK545593
Synonyms: methylcyano(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoxalin-2-yl)acetate
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)C(=O)OC

STK545594
Synonyms: N-(2,4-dimethylphenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK545595
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-{4-[(2-chlorobenzyl)oxy]phenyl}ethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)/c1ccc(cc1)OCc1ccccc1Cl

STK545596
Synonyms: N-(2-methylphenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545597
Synonyms: 2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK545598
Synonyms: (6aS,6bR,9aS,10R)-10-[(3-bromo-4-methoxyphenyl)carbonyl]-8-(naphthalen-2-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C=Cc1c2cccc1

STK545599
Synonyms: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc(cc1C(F)(F)F)c1cccs1

STK545601
Synonyms: 2-amino-1-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: COCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)OC

STK545603
Synonyms: 7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK545604
Synonyms: methylN-[(2,4-dichlorophenyl)carbonyl]-3,3,3-trifluoro-2-(2-phenylhydrazinyl)alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccc(cc1Cl)Cl)NNc1ccccc1

STK545605
Synonyms: 1-(furan-2-ylmethyl)-2-imino-N-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COCCCNC(=O)c1cc2c(n(c1=N)Cc1ccco1)nc1n(c2=O)cccc1C

STK545606
Synonyms: ethyl3-{4-cyano-1-[4-(diphenylmethyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazol-2-yl}propanoate
Smiles: CCOC(=O)CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1n2

STK545607
Synonyms: N'-{[1,3-bis(2-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzohydrazide
Smiles: COc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccccc2)/C(=O)N(C1=S)c1ccccc1OC

STK545608
Synonyms: 8-(4-methoxyphenyl)-9-[(3-methylbutyl)sulfanyl]-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: COc1ccc(cc1)n1c(SCCC(C)C)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK545610
Synonyms: 5-ethyl-10,10-dimethyl-3-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SC)nn2)CC(OC3)(C)C

STK545612
Synonyms: ethyl5-methoxy-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cc(C)c(cc1C)C)cc(cc2)OC

STK545613
Synonyms: methyl5-chloro-3-{[(2-fluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cc(cc2)Cl

STK545615
Synonyms: N'-[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)N/N=C/C=C/c1ccco1

STK545616
Synonyms: 11-(4-tert-butylphenyl)-N-(2,5-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(c(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C)C

STK545618
Synonyms: ethyl4-{[10-methyl-8-phenyl-11-(3,4,5-trimethoxyphenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cc(OC)c(c(c2)OC)OC)c(nn1c1ccccc1)C

STK545619
Synonyms: 3-[3-(4-chloro-3-ethylphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCc1cc(OCCCn2c(nc3c(c2=O)cccc3)c2ccc(cc2)OC)ccc1Cl

STK545620
Synonyms: N-(3-fluorophenyl)-2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545622
Synonyms: 4-{6-[(3,5-dimethylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzene-1,2-diol
Smiles: Cc1cc(cc(c1)C)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)O)O)c(nn1c1ccccc1)C

STK545623
Synonyms: {4-[2-hydroxy-3-(4-iodophenoxy)propyl]piperazin-1-yl}(phenyl)methanone
Smiles: OC(CN1CCN(CC1)C(=O)c1ccccc1)COc1ccc(cc1)I

STK545624
Synonyms: 2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
Smiles: CC(c1ccc(cc1)c1nc(Nc2cccc(c2)C(F)(F)F)c2c(n1)cccc2)(C)C

STK545626
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylamino)methyl]-N'-[(E)-phenylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CNc1ccccc1)c1nonc1N)N/N=C/c1ccccc1

STK545627
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2C)c2nonc2N)cc(c1OCc1cccc2c1cccc2)Br

STK545628
Synonyms: 11-(3-methylbutyl)-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CC(CCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1)C

STK545629
Synonyms: methyl2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc2c(c1)OCO2

STK545631
Synonyms: 11-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(c(c1)C)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)C(C)(C)C)C)c1ccccc1

STK545632
Synonyms: 2-[(4-amino-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
Smiles: CC1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)N(c1ccccc1)C

STK545633
Synonyms: 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)Cc1ccccc1)c([nH]2)C

STK545634
Synonyms: 4-[(4-chlorophenyl)carbonyl]-5-[4-(dimethylamino)phenyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: C=CCN1C(c2ccc(cc2)N(C)C)C(=C(C1=O)O)C(=O)c1ccc(cc1)Cl

STK545637
Synonyms: diethyl[(benzylamino)(4-bromophenyl)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccc(cc1)Br)NCc1ccccc1)OCC

STK545639
Synonyms: 8-bromo-N-(4-methoxybenzyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1ccc(cc1)CNc1ncnc2c1[nH]c1c2cc(cc1)Br

STK545640
Synonyms: 4,4'-[(9-oxo-9H-fluorene-2,7-diyl)disulfonyl]dipiperazine-1-carbaldehyde
Smiles: O=CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1c2ccc(c1)S(=O)(=O)N1CCN(CC1)C=O

STK545641
Synonyms: (2E)-3-(3,4-dimethoxyphenyl)-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(c(c1)OC)OC

STK545642
Synonyms: 2'-(biphenyl-4-yl)-9'-bromo-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCOC(C1)(C)C)c1ccc(cc1)c1ccccc1

STK545643
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dichlorophenyl)methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1C)c1nonc1N)N/N=C/c1ccc(c(c1)Cl)Cl

STK545644
Synonyms: ethyl2-imino-10-methyl-1-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: CCOC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)C)nc1n(c2=O)cccc1C

STK545646
Synonyms: dipropan-2-yl3-methyl-5-{[(pyridin-4-ylcarbonyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
Smiles: CC(OC(=O)c1c(NC(=S)NC(=O)c2ccncc2)sc(c1C)C(=O)OC(C)C)C

STK545647
Synonyms: N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide
Smiles: O=C(c1cc2c(s1)n(nc2C)c1ccccc1)N/N=C/c1cc2OCOc2cc1Br

STK545649
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(3-chlorobenzyl)oxy]-3-ethoxyphenyl}methylidene]-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)ccc1OCc1cccc(c1)Cl

STK545650
Synonyms: 3-fluoro-N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1cccc(c1)F)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK545652
Synonyms: 3-methyl-1-(2-methyl-1H-imidazol-1-yl)-2-(2-methylprop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(CC(=C)C)c(n2c1nc1c2cccc1)n1ccnc1C

STK545654
Synonyms: 3-methyl-1-(4-methylpiperidin-1-yl)-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCCCc1c(C)c(C#N)c2n(c1N1CCC(CC1)C)c1ccccc1n2

STK545655
Synonyms: N-(2,4-dimethoxyphenyl)-10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)C

STK545656
Synonyms: N-[4-({(E)-[1-(2-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1Cl

STK545657
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OCc1ccccc1F

STK545659
Synonyms: 6-bromo-2-(3,4-dimethoxyphenyl)-4-phenyl-1,4-dihydro-2H-3,1-benzoxazine
Smiles: COc1cc(ccc1OC)C1Nc2ccc(cc2C(O1)c1ccccc1)Br

STK545660
Synonyms: N,N-diethyl-2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Smiles: CCN(C(=O)CSc1nc(CC)nc2c1c1CC(C)(C)OCc1s2)CC

STK545661
Synonyms: [(4-bromophenyl)sulfonyl][3-(3,4-dimethylpyridinium-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]azanide
Smiles: Brc1ccc(cc1)S(=O)(=O)[N-]C1=C([n+]2ccc(c(c2)C)C)C(=O)c2c(C1=O)cccc2

STK545662
Synonyms: 1-(4-bromophenyl)-2-[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)c2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C

STK545663
Synonyms: 3,3-bis[(4-chlorobenzyl)sulfanyl]-2-cyanoprop-2-enamide
Smiles: N#C/C(=C(\SCc1ccc(cc1)Cl)/SCc1ccc(cc1)Cl)/C(=O)N

STK545664
Synonyms: 2-imino-1-methyl-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NCC1CCCO1

STK545665
Synonyms: 3-{[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-2-(phenoxymethyl)quinazolin-4(3H)-one
Smiles: Cc1nn(c(c1/C=N/n1c(COc2ccccc2)nc2c(c1=O)cccc2)O)c1ccccc1

STK545667
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[2-(3-chlorophenyl)ethyl]acetamide
Smiles: N#Cc1c(SCC(=O)NCCc2cccc(c2)Cl)nc(c(c1c1cccs1)C#N)N

STK545668
Synonyms: 3-bromo-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
Smiles: Brc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1

STK545671
Synonyms: 1-[(4-tert-butylbenzyl)oxy]-3-(4-methoxyphenyl)quinoxalin-2(1H)-one4-oxide
Smiles: COc1ccc(cc1)c1[n+]([O-])c2ccccc2n(c1=O)OCc1ccc(cc1)C(C)(C)C

STK545672
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Br)nc(c(c1c1cccs1)C#N)N

STK545673
Synonyms: methyl2-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCCCC2

STK545674
Synonyms: N-(3-chloro-4-methoxyphenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)Cl)OC)nc1c2cccc1

STK545675
Synonyms: ethyl{2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl}acetate
Smiles: CCOC(=O)Cc1csc(n1)N/N=C/c1ccccc1

STK545677
Synonyms: 7-tert-butyl-3-(3-methylphenyl)-2-(propylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC(C3)C(C)(C)C

STK545678
Synonyms: N-(3-chloro-4-fluorophenyl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1nn(c2c1C(c1cccs1)n1c(=N2)c(Nc2ccc(c(c2)Cl)F)nc2c1cccc2)c1ccccc1

STK545679
Synonyms: 1-butyl-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(=O)C(=C(C1c1ccccc1)C(=O)c1ccc(cc1)Cl)O

STK545680
Synonyms: N-{2-[tert-butyl(methyl)amino]ethyl}-N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
Smiles: CN(C(C)(C)C)CCN(S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C

STK545681
Synonyms: N-(2,4-dimethoxyphenyl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(c(c1)OC)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccs2)c(nn1c1ccccc1)C

STK545682
Synonyms: 3-nitro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK545684
Synonyms: 11-(furan-2-yl)-3-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: Cc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccco1)C(=O)/C=C/c1ccccc1

STK545685
Synonyms: 4-(4-benzylpiperazin-1-yl)-8-chloro-5H-pyrimido[5,4-b]indole
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)Cc1ccccc1

STK545686
Synonyms: 2-amino-6-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: N#Cc1cc(C#N)c(nc1SCC(=O)N1CCc2c(C1)cc(c(c2)OC)OC)N

STK545688
Synonyms: (8S,8aR,11aS)-8-[(4-methoxyphenyl)carbonyl]-10-(3-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK545689
Synonyms: propan-2-yl2-amino-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK545691
Synonyms: 3-{4-[(5E)-5-(4-butoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: CCCCOc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)CCC#N

STK545692
Synonyms: 3-[5-(2-bromophenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccccc1Br

STK545693
Synonyms: 4-fluoro-N-{3-[(4-methylphenyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)F)n(c2c1nc1ccccc1n2)CC1CCCO1

STK545694
Synonyms: 3-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile
Smiles: N#Cc1c(cccc1C#N)Oc1ccc(cc1n1nc2c(n1)cccc2)C

STK545695
Synonyms: N-(3-cyano-1-phenyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl)-4-nitrobenzenesulfonamide
Smiles: N#Cc1c(NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)c1ccccc1

STK545696
Synonyms: 1,3-dicyclohexyl-5-[(1-methyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C2CCCCC2)C(=O)C(=Cc2cn(c3c2cccc3)C)C(=O)N1C1CCCCC1

STK545697
Synonyms: 1-methoxypropan-2-yl2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)Cl)C

STK545698
Synonyms: 5-(5,10-diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)-2-methoxyphenol
Smiles: COc1ccc(cc1O)c1nc2c([nH]1)c1cc(I)ccc1c1c2cc(I)cc1

STK545699
Synonyms: 2-imino-10-[4-(prop-2-en-1-yloxy)phenyl]tetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Smiles: C=CCOc1ccc(cc1)C1OC23CCCCC3C(C1(C#N)C(=N)O2)(C#N)C#N

STK545700
Synonyms: prop-2-en-1-yl2-amino-1-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)OCC=C

STK545701
Synonyms: 6,6-dimethyl-4-(methylsulfanyl)-2-phenyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545702
Synonyms: 4-[(8S,8aR,11aS)-8-[(3-nitrophenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK545703
Synonyms: methyl4-{6-[(3-chloro-4-fluorophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(c(c1)Cl)F)nc1c2cccc1

STK545706
Synonyms: 1-[bis(2-hydroxyethyl)amino]-3-(naphthalen-2-yloxy)propan-2-ol
Smiles: OCCN(CC(COc1ccc2c(c1)cccc2)O)CCO

STK545707
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N,N-diethylacetamide
Smiles: CCCCn1c(SCC(=O)N(CC)CC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545708
Synonyms: 5-(2-fluorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1F)c1cccc(c1)C(F)(F)F

STK545709
Synonyms: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-{[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1ccc(c(n1)SCC(=O)Nc1sc2c(c1C#N)CCC2)C#N

STK545710
Synonyms: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1ccccc1OC)c([nH]2)C

STK545711
Synonyms: diethyl4-[(4-bromophenyl)amino]quinoline-3,6-dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)Br)cc(cc2)C(=O)OCC

STK545713
Synonyms: ethyl8-chloro-4-{[3-(morpholin-4-yl)propyl]amino}quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1NCCCN1CCOCC1)cccc2Cl

STK545715
Synonyms: 5-(4-bromophenyl)-2,3-bis(4-methoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccc(cc1)OC

STK545717
Synonyms: ethyl[(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(CC)nc2c1c1CC(C)(C)OCc1s2

STK545718
Synonyms: (9E)-9-(2,4-dichlorobenzylidene)-5-(2,4-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Clc1ccc(c(c1)Cl)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccc(cc1Cl)Cl)/CCC2

STK545719
Synonyms: 3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1c(C)cc(cc1Cl)C

STK545720
Synonyms: 2-{[8-(2-methylprop-2-en-1-yl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)N)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK545722
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(4-fluorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK545723
Synonyms: methyl(1R,2R,3S,3aS)-1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-(3,4-dimethoxyphenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@@]([C@H]1c1ccc(c(c1)OC)OC)(C#N)C(=O)OC

STK545724
Synonyms: 3-[3-(2-tert-butylphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1C(C)(C)C

STK545725
Synonyms: methyl(1R,2R,3S,3aS)-1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@@]([C@H]1c1ccccc1)(C#N)C(=O)OC

STK545727
Synonyms: 7-ethoxy-1,2,3,4-tetrahydrophenazine5,10-dioxide
Smiles: CCOc1ccc2c(c1)[n+]([O-])c1c([n+]2[O-])CCCC1

STK545728
Synonyms: N'~1~-[(3E)-5-chloro-2-oxo-1-(propan-2-yl)-1,2-dihydro-3H-indol-3-ylidene]-N'~7~-[(3Z)-5-chloro-2-oxo-1-(propan-2-yl)-1,2-dihydro-3H-indol-3-ylidene]heptanedihydrazide
Smiles: CC(N1C(=O)/C(=N/NC(=O)CCCCCC(=O)N/N=C/2\C(=O)N(c3c2cc(Cl)cc3)C(C)C)/c2c1ccc(c2)Cl)C

STK545730
Synonyms: (2E)-3-{1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}-2-(pyrrolidin-1-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccccc1F)/C(=O)N1CCCC1

STK545733
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-methoxyphenyl}methylidene]-5-(2,3-dihydro-1H-indol-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCc3c2cccc3)c2nonc2N)cc(c1OCc1cccc(c1)Cl)Br

STK545734
Synonyms: N-(2,4-dimethylphenyl)-10-methyl-8-phenyl-11-(thiophen-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(c(c1)C)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccs1)C)c1ccccc1

STK545735
Synonyms: 2-cyano-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl}-N-(2-phenylethyl)acetamide
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1OC)C(=O)NCCc1ccccc1

STK545738
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-cyclohexylphenyl)ethylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)/c1ccc(cc1)C1CCCCC1

STK545739
Synonyms: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[4-methyl-3-(morpholin-4-ylsulfonyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)S(=O)(=O)N2CCOCC2)C)NC(=O)CC1c1ccccc1F

STK545740
Synonyms: 4-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCc1nc(SCc2ccc3c(c2)OCO3)c2c(n1)sc1c2CC(OC1)(C)C

STK545742
Synonyms: (1'R,2'R)-2'-(3-nitrophenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)c1ccccc1

STK545743
Synonyms: 2-(4-chlorophenyl)-3-{2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl}quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1cc(Cl)ccc1Cl

STK545744
Synonyms: 2-(4-chlorophenyl)-N-(2-{(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl}-2-oxoethyl)acetamide(non-preferredname)
Smiles: O=C(N/N=C(\c1ccco1)/C)CNC(=O)Cc1ccc(cc1)Cl

STK545745
Synonyms: methyl2-(acetylamino)-3,3,3-trifluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)alaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc2c(n1)c(F)ccc2)NC(=O)C

STK545747
Synonyms: 11-(4-tert-butylphenyl)-N-(3-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C

STK545748
Synonyms: N-(2,4-dimethylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK545749
Synonyms: (6aS,6bR,9aS,10R)-10-[(3-bromo-4-methoxyphenyl)carbonyl]-8-(4-bromophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Br)C=Cc1c2cccc1

STK545752
Synonyms: 3-amino-N-(3-chlorobenzyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)NCc1cccc(c1)Cl

STK545753
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene]-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)cc(c1OCc1ccc(cc1)F)Br

STK545754
Synonyms: methyl2-amino-1-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)F

STK545756
Synonyms: (8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]

STK545757
Synonyms: (8S,8aR,11aS,11bS)-8-[(4-bromophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1NC(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)Br)N1[C@@H]2c2ccccc2C=C1

STK545758
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ylmethyl)-N'-[(E)-pyridin-4-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCOCC1)c1nonc1N)N/N=C/c1ccncc1

STK545759
Synonyms: 4-chloro-N-(furan-2-ylmethyl)-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)c1ccc(cc1)Cl)Cc1ccco1

STK545760
Synonyms: 3-[3-(4-bromophenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccc(cc1)Br

STK545761
Synonyms: 1-butyl-5-(4-fluorophenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCN1C(c2ccc(cc2)F)C(=C(C1=O)O)C(=O)c1ccccc1

STK545762
Synonyms: prop-2-en-1-ylcyano[3-(dibutylamino)quinoxalin-2-yl]acetate
Smiles: CCCCN(c1nc2ccccc2nc1C(C(=O)OCC=C)C#N)CCCC

STK545764
Synonyms: 3-[3-(2-methoxyphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1OC

STK545765
Synonyms: N-[1-(1H-benzimidazol-2-yl)butyl]-4-bromobenzamide
Smiles: CCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)Br

STK545767
Synonyms: N-[3-(4-benzylpiperidin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]thiophene-2-sulfonamide
Smiles: O=C1C(=C(N2CCC(CC2)Cc2ccccc2)C(=O)c2c1cccc2)NS(=O)(=O)c1cccs1

STK545768
Synonyms: N-{3-[(4-methylphenyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-nitrobenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)CC1CCCO1

STK545769
Synonyms: 3-(4-methoxyphenyl)-5-(3-nitrophenyl)-2,3a-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(cc1)C1N(OC2C1(c1ccccc1)C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK545771
Synonyms: (8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(4-fluorophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2

STK545773
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-4-chlorobenzohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1ccc(cc1)Cl)/C(=O)N2CN1CCCCC1c1cccnc1

STK545774
Synonyms: N-[3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1C)CC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK545777
Synonyms: [3-amino-6-methyl-4-(thiophen-2-yl)thieno[2,3-b]pyridin-2-yl](2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Smiles: Cc1nc2sc(c(c2c(c1)c1cccs1)N)C(=O)c1ccc2c(c1)OCCO2

STK545779
Synonyms: 3-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(C)cccc1C

STK545780
Synonyms: (8S,8aR,11aS)-10-(2-fluorophenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3

STK545781
Synonyms: 3-[(dibutylamino)methyl]-2,6,8-trimethylquinolin-4-ol
Smiles: CCCCN(Cc1c(C)nc2c(c1O)cc(cc2C)C)CCCC

STK545783
Synonyms: 2-[(4-amino-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: CC1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)Nc1ccccc1C

STK545785
Synonyms: 2-[(naphthalen-1-ylmethyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545786
Synonyms: 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C

STK545787
Synonyms: 4-acetyl-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCN(CCN1C(=O)C(=C(C1c1ccccc1[N+](=O)[O-])C(=O)C)O)CC

STK545788
Synonyms: ethyl6-methyl-2-({[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c1CCC(C2)C

STK545789
Synonyms: [(1S,2R,3S)-2-(3,4-dimethoxyphenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl](phenyl)methanone
Smiles: COc1cc(ccc1OC)[C@H]1[C@H]([N+](=O)[O-])C2N([C@@H]1C(=O)c1ccccc1)N=Cc1c2cccc1

STK545791
Synonyms: 4-[(4-bromophenyl)carbonyl]-1-[2-(diethylamino)ethyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCN(CCN1C(c2ccc(c(c2)OC)OC)C(=C(C1=O)O)C(=O)c1ccc(cc1)Br)CC

STK545792
Synonyms: 3-[2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]propyl3-nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])OCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK545793
Synonyms: ethyl2-(4-bromophenyl)-4-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)Br)C

STK545794
Synonyms: N-(3-chloro-4-methoxyphenyl)-11-(4-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)Cl)c(nn1c1ccccc1)C

STK545796
Synonyms: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-fluorobenzyl)acetamide
Smiles: N#Cc1c(SCC(=O)NCc2ccc(cc2)F)nc(c(c1c1cccs1)C#N)N

STK545797
Synonyms: N-(2-{(2Z)-2-[1-(3-cyanopropyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-2-phenylacetamide(non-preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)/c2c1cccc2

STK545798
Synonyms: 2-(butylsulfanyl)-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCC3

STK545799
Synonyms: N,N'-{benzene-1,4-diylbis[oxy(2-hydroxypropane-3,1-diyl)]}bis[4-chloro-N-(4-methoxyphenyl)benzenesulfonamide]
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)Cl)CC(COc1ccc(cc1)OCC(CN(S(=O)(=O)c1ccc(cc1)Cl)c1ccc(cc1)OC)O)O

STK545800
Synonyms: bis(2-methylpropyl)[(2,4-dichlorophenyl)(phenylamino)methyl]phosphonate
Smiles: CC(COP(=O)(C(c1ccc(cc1Cl)Cl)Nc1ccccc1)OCC(C)C)C

STK545801
Synonyms: 1-[bis(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
Smiles: OCCN(CC(COc1ccc(cc1)OC)O)CCO

STK545802
Synonyms: 8-(2-methylprop-2-en-1-yl)-9-(propylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCc1c3cccc1

STK545803
Synonyms: 2-imino-N,1-bis(2-methoxyethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCCOC

STK545804
Synonyms: butyl2-amino-1-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccc(cc1)S(=O)(=O)N

STK545805
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)Cl)C

STK545806
Synonyms: 3-amino-N-(4-chlorophenyl)-4-(furan-2-yl)-6-methyl-2-[(3-nitrophenyl)carbonyl]thieno[2,3-b]pyridine-5-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1c(C)nc2c(c1c1ccco1)c(N)c(s2)C(=O)c1cccc(c1)[N+](=O)[O-]

STK545807
Synonyms: (8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(4-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)N=Cc2c1cccc2

STK545808
Synonyms: N-phenyl-2-[(5-phenyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1)CSc1nnc2n1c(nc1c2c2CCCc2s1)c1ccccc1

STK545809
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(2,4-dimethylphenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)C)C(=O)c1ccccc1

STK545811
Synonyms: 3-amino-6-ethyl-N-(4-fluorobenzyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCC1CCc2c(C1)cc1c(n2)sc(c1N)C(=O)NCc1ccc(cc1)F

STK545812
Synonyms: N-(4-{3-[(4-chlorophenyl)carbonyl]-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetamide
Smiles: COc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)NC(=O)C)O)C(=O)c1ccc(cc1)Cl

STK545813
Synonyms: (8S,8aR,11aS)-10-(4-chlorophenyl)-8-[(4-chlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)cccc3

STK545815
Synonyms: 2-(hexylsulfanyl)-6-iodo-3-(2-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCCCCCSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I

STK545817
Synonyms: N'-[(E)-(4-fluorophenyl)methylidene]-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-]

STK545818
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)nc2c(c1=O)cccc2

STK545819
Synonyms: 3'-(4-nitrophenyl)-5'-(phenylcarbonyl)spiro[indole-3,4'-[1,2]oxazol]-2(1H)-one
Smiles: O=C(C1ON=C(C21C(=O)Nc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK545820
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(diphenylmethyl)acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK545821
Synonyms: 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK545822
Synonyms: methyl4-ethyl-5-methyl-2-({1,1,1-trifluoro-3-methoxy-3-oxo-2-[(3-phenylpropanoyl)amino]propan-2-yl}amino)thiophene-3-carboxylate
Smiles: COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C(=O)OC)CC)C)NC(=O)CCc1ccccc1

STK545823
Synonyms: [5-(2-chloro-6,7-dimethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](furan-2-yl)methanone
Smiles: COc1ccc(cc1OC)C1=NN(C(C1)c1cc2cc(OC)c(cc2nc1Cl)OC)C(=O)c1ccco1

STK545824
Synonyms: ethyl4-[11-(4-methoxybenzyl)-4-oxo-4,11-dihydro-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-3-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(cc1)OC

STK545827
Synonyms: 2-(3-{2-[(2-bromophenyl)carbonyl]hydrazinyl}-3-oxopropyl)hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)NNC(=O)c1ccccc1Br

STK545828
Synonyms: ethyl4-{[11-(4-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)F)c(nn1c1ccccc1)C

STK545829
Synonyms: 2-[(6,6-dimethyl-2-phenyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545830
Synonyms: 3-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(Cl)cc(cc1Br)C

STK545831
Synonyms: 2-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]hexanoicacid
Smiles: CCCCC(C(=O)O)CCC(=O)Nc1nccs1

STK545833
Synonyms: 3,4-dimethoxy-N-(2-{[(2E)-2-(2,4,5-trimethoxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(c(c1)OC)OC)OC

STK545834
Synonyms: N-[1-(1-benzyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-methoxybenzamide
Smiles: CSCCC(c1nc2c(n1Cc1ccccc1)cccc2)NC(=O)c1ccc(cc1)OC

STK545835
Synonyms: ethyl2-({(2E)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)-5-phenylthiophene-3-carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1ccc(cc1)C(C)C)/C#N)c1ccccc1

STK545836
Synonyms: 1-{[2-(diethylamino)ethyl]amino}-3-methyl-2-(2-methylprop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCN(CCNc1c(CC(=C)C)c(C)c(c2n1c1ccccc1n2)C#N)CC

STK545837
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N

STK545838
Synonyms: 4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(S)nnc1c1ccc2c(n1)cccc2

STK545839
Synonyms: (8S,8aR,11aS)-10-(2-chlorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C([C@H]1N2N=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3)c1ccccc1

STK545840
Synonyms: 4-{10-methyl-6-[(4-methylphenyl)amino]-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzene-1,2-diol
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(c(c1)O)O)C)c1ccccc1

STK545842
Synonyms: N-[3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1c(C)cccc1C)CC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK545843
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(s1)SCc1ccccc1

STK545845
Synonyms: methyl5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)S

STK545846
Synonyms: 5-(4-{[4-methoxy-3-(piperidin-1-ylcarbonyl)phenyl]amino}phthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
Smiles: COc1ccc(cc1C(=O)N1CCCCC1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC)C

STK499802
Synonyms:
Smiles: O=C(N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N](=O)[O-])NC1CCCCC1

STK499803
Synonyms:
Smiles: O=C(N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N](=O)[O-])COc1ccccc1

STK499804
Synonyms:
Smiles: COc1ccc(cc1)OCC(=O)N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N](=O)[O-]

STK499806
Synonyms:
Smiles: [O-][N](=O)c1ccc2c(c1)nc(n2C)CN1CCN(CC1)S(=O)(=O)C

STK660177
Synonyms: N-[(E)-1H-indol-6-ylmethylidene]-5,7-dimethyl-2-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-amine
Smiles: CC12CN3CC(C2/N=C/c2ccc4c(c2)[nH]cc4)(CN(C1)C3c1ccccc1)C

STK673410
Synonyms: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2cc(ccc2Cl)C(F)(F)F)C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C

STK832780
Synonyms: 2-[4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenoxy]acetamide
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)OCC(=O)N)c(=O)oc(c2)C

STK545847
Synonyms: N-{4-[3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccccc1

STK545849
Synonyms: 2-(propan-2-ylsulfanyl)-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCn1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545851
Synonyms: (8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(4-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2

STK545852
Synonyms: [3-amino-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl](4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCCC1

STK545853
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(3,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C(=O)OC)C#N)SCC(=O)Nc1ccc(c(c1)F)F

STK545854
Synonyms: 1,3-di(9H-carbazol-9-yl)propan-2-ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)Cn1c2ccccc2c2c1cccc2

STK545855
Synonyms: 4-amino-N'-[(E)-(4-bromophenyl)methylidene]-1,2,5-oxadiazole-3-carbohydrazonamide
Smiles: Brc1ccc(cc1)/C=N/N=C(/c1nonc1N)\N

STK545856
Synonyms: methyl5-chloro-3-{[(2E)-3-phenylprop-2-enoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccccc1)cc(cc2)Cl

STK545858
Synonyms: 3-[(4-chlorophenyl)sulfonyl]-1-(3-methylbutyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: CC(CCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)Cl)C

STK545859
Synonyms: (2E)-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(thiophen-2-yl)prop-2-enamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccs1

STK545860
Synonyms: 2-[(2-benzyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nc(Cc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK545861
Synonyms: 3-(4-bromophenyl)-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(/C=C/c2ccc(cc2Cl)Cl)nc2c(c1=O)cc(cc2)I

STK545862
Synonyms: 1-(4-chlorophenyl)-2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1

STK545863
Synonyms: N-[1-(1-hexyl-1H-benzimidazol-2-yl)butyl]benzamide
Smiles: CCCCCCn1c(nc2c1cccc2)C(NC(=O)c1ccccc1)CCC

STK545864
Synonyms: (3S)-2-(4-bromo-2-fluorophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)cyclopropane-1,1-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](C1c1ccc(cc1F)Br)C(=O)C12CC3CC(C2)CC(C1)C3

STK545865
Synonyms: N-{(1E)-1-(furan-2-yl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}-3,4,5-trimethoxybenzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)N/C(=C/c1ccco1)/C(=O)Nc1ccc(cc1)C

STK545866
Synonyms: 1,5-bis(4-fluorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Fc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)F)O)C(=O)c1ccc(cc1)C

STK545867
Synonyms: 8-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)NCCC1=CCCCC1

STK545868
Synonyms: (8S,8aR,11aS)-10-(2-fluorophenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3)c1cccc(c1)[N+](=O)[O-]

STK545869
Synonyms: (2E)-N-(3-methyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
Smiles: O=C(Nc1[nH]nc(n1)C)/C=C/c1ccccc1

STK545870
Synonyms: 4-[(E)-{(2E)-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene}methyl]-2-methoxyphenyl4-chlorobenzoate
Smiles: COc1cc(/C=N/N=C(\c2nonc2N)/N)ccc1OC(=O)c1ccc(cc1)Cl

STK545873
Synonyms: [(4-ethoxyphenyl)sulfonyl][3-(4-{[(2-methylphenyl)carbonyl]amino}pyridinium-1-yl)quinoxalin-2-yl]azanide
Smiles: CCOc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1[n+]1ccc(cc1)NC(=O)c1ccccc1C

STK545875
Synonyms: ethyl4-hydroxy-1-methyl-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])C

STK545878
Synonyms: (8S,8aR,11aS)-10-(2-chlorophenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3)c1cccc(c1)[N+](=O)[O-]

STK545880
Synonyms: 2-amino-1-(3,5-dimethylphenyl)-N-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Cc1cc(C)cc(c1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccco1

STK545881
Synonyms: ethyl5-(4-chloro-3-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])Cl

STK545882
Synonyms: prop-2-en-1-yl2-amino-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: C=CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)OC

STK545883
Synonyms: 3-[bis(3-methylbutyl)amino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(CCC(C)C)CCC(C)C

STK545884
Synonyms: N~4~-benzyl-N~2~-(3,4-dichlorophenyl)quinazoline-2,4-diamine
Smiles: Clc1ccc(cc1Cl)Nc1nc(NCc2ccccc2)c2c(n1)cccc2

STK545885
Synonyms: 1-[3,3-bis(4-chlorophenyl)-3'-(4-nitrophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Smiles: Clc1ccc(cc1)C1(SC2(c3c1cccc3)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)C)c1ccc(cc1)Cl

STK545886
Synonyms: N-(4-methoxyphenyl)-2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(s1)SCc1cccc2c1cccc2

STK545887
Synonyms: prop-2-en-1-yl{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C#N

STK545888
Synonyms: 1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1c(CSc2ccccc2)n(c2c1cccc2)C

STK545889
Synonyms: 2-butyl-1-{[2-(diethylamino)ethyl]amino}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(c1NCCN(CC)CC)c1ccccc1n2

STK545890
Synonyms: 3-ethyl6-methyl4-[(4-bromophenyl)amino]quinoline-3,6-dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)Br)cc(cc2)C(=O)OC

STK545891
Synonyms: N,1-dibenzyl-2-[(phenylcarbonyl)amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: O=C(c1ccccc1)Nc1c(C(=O)NCc2ccccc2)c2c(n1Cc1ccccc1)nc1c(n2)cccc1

STK545892
Synonyms: 5-(4-chlorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: C=CCN1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)c1ccc(cc1)C)O

STK545894
Synonyms: 2-{[3-cyano-6-(4-methoxyphenyl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)NCc2ccco2)c(c(c1)c1cccs1)C#N

STK545895
Synonyms: (8S,8aR,11aS)-10-(2,4-dichlorophenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2

STK545896
Synonyms: ethyl6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccc(c(c1)Cl)Cl)C#N)N

STK545897
Synonyms: 9-(4-chlorophenyl)-7-(4-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)Cl)c1c(CC2)cccc1

STK545898
Synonyms: (3S)-2-(3-bromophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)cyclopropane-1,1-dicarbonitrile
Smiles: N#CC1(C#N)C([C@@H]1C(=O)C12CC3CC(C2)CC(C1)C3)c1cccc(c1)Br

STK545899
Synonyms: (2S,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(2,3,4-trimethoxyphenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H]([C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C(C)(C)C)c1ccc(c(c1OC)OC)OC

STK545900
Synonyms: 4-methyl-7-(2-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}ethoxy)-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)cc(cc2)OCCSCCN1CCCC1

STK545901
Synonyms: butylcyano[3-(morpholin-4-yl)quinoxalin-2-yl]acetate
Smiles: CCCCOC(=O)C(c1nc2ccccc2nc1N1CCOCC1)C#N

STK545903
Synonyms: 2-(4-chlorophenyl)-3-{2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl}quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1c(C)ccc(c1C)C

STK545907
Synonyms: N-{1-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-methylbenzenesulfonamide
Smiles: COCCCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C

STK545908
Synonyms: {3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)c1ccc(cc1)F

STK545910
Synonyms: 4-amino-N'-[(E)-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}methylidene]-1,2,5-oxadiazole-3-carbohydrazonamide
Smiles: COc1cc(/C=N/N=C(/c2nonc2N)\N)ccc1OCc1ccc(cc1)F

STK545913
Synonyms: 3-(4-benzylpiperazin-1-yl)-4-chloro-1-phenyl-1H-pyrrole-2,5-dione
Smiles: ClC1=C(N2CCN(CC2)Cc2ccccc2)C(=O)N(C1=O)c1ccccc1

STK545914
Synonyms: (5Z)-2-[(2,3-dichlorophenyl)amino]-5-(1H-indol-3-ylmethylidene)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1c[nH]c2c1cccc2)Nc1cccc(c1Cl)Cl

STK545915
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}methylidene]-5-(phenoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)ccc1OCc1ccccc1F

STK545916
Synonyms: N-(2-{(2Z)-2-[1-(3-cyanopropyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)thiophene-2-carboxamide(non-preferredname)
Smiles: N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)/c2c1cccc2

STK545917
Synonyms: 2-(4-methoxyphenyl)-3-[3-(2,3,5-trimethylphenoxy)propyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1cc(C)cc(c1C)C

STK545919
Synonyms: 3-butyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCCn1c(SCC=C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK545920
Synonyms: 6-(4-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]-4-phenylpyridine-3-carbonitrile
Smiles: N#Cc1c(SCCC(C)C)nc(cc1c1ccccc1)c1ccc(cc1)OC

STK545921
Synonyms: N-({2-[(3,5-dimethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)pyridine-3-carboxamide
Smiles: COc1cc(OC)cc(c1)C(=O)NNC(=S)NC(=O)c1cccnc1

STK545922
Synonyms: 3-hydroxy-1-(4-nitrophenyl)-5-phenyl-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C(C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK545923
Synonyms: 2-[(6,6-dimethyl-2-phenyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK545924
Synonyms: [3-(3-{[(4-methoxyphenyl)carbonyl]amino}pyridinium-1-yl)quinoxalin-2-yl](phenylsulfonyl)azanide
Smiles: COc1ccc(cc1)C(=O)Nc1ccc[n+](c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1

STK545926
Synonyms: 2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-6-iodo-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one
Smiles: CC(=C)Cn1c(SC/C=C(/Cl)\C)nc2c(c1=O)cc(cc2)I

STK545928
Synonyms: 4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CCN1CCN(CC1)c1ncnc2c1c1CCCCc1s2

STK545930
Synonyms: 2-butyl-1-(3,5-dimethylpiperidin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(c1N1CC(C)CC(C1)C)c1ccccc1n2

STK545931
Synonyms: (8S,8aR,11aS)-10-(4-bromophenyl)-8-[(4-chlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)cccc3

STK545934
Synonyms: 2-methoxyethyl2-amino-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: COCCOC(=O)c1c2nc3ccccc3nc2n(c1N)Cc1ccc(cc1)OC

STK545935
Synonyms: N-(2,4-dimethylphenyl)-11-(2-fluorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Cc1ccc(c(c1)C)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccccc1F)C)c1ccccc1

STK545936
Synonyms: propan-2-yl2-amino-1-[3-(morpholin-4-yl)propyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCN1CCOCC1)C

STK545937
Synonyms: N-(3-chlorophenyl)-10-methyl-8-phenyl-11-[4-(propan-2-yl)phenyl]-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: Clc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)C)c(nn1c1ccccc1)C

STK545938
Synonyms: 3-(3,3-dimethylpiperidin-1-yl)-5-[(4-methoxyphenyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: COc1ccc(cc1)Nc1cc(N2CCCC(C2)(C)C)c2c3c1C(=O)c1ccccc1c3on2

STK545939
Synonyms: 2-butyl-3-methyl-1-(morpholin-4-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(c1N1CCOCC1)c1ccccc1n2

STK545940
Synonyms: 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2,6-dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN(C)C)c2nonc2N)cc(c1OC(=O)C)OC

STK545941
Synonyms: (2E)-N-{[4-(4-fluorophenyl)piperazin-1-yl]carbonothioyl}-3-(4-methylphenyl)prop-2-enamide
Smiles: O=C(NC(=S)N1CCN(CC1)c1ccc(cc1)F)/C=C/c1ccc(cc1)C

STK545942
Synonyms: 3-(4-chlorophenyl)-5-(furan-2-yl)-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)S(=O)(=O)c1ccccc1

STK545943
Synonyms: N-(2,4-dichlorophenyl)-11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1Cl)Cl)c1ccccc1

STK545944
Synonyms: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(3-fluorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)F)cccc3

STK545945
Synonyms: 2-(4-methoxyphenyl)-3-{2-[3-(propan-2-yl)phenoxy]ethyl}quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1cccc(c1)C(C)C

STK545946
Synonyms: 3-{4-(4-ethoxyphenyl)-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: CCOc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1ccc(cc1)F

STK545949
Synonyms: 7-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)c1nc2c(n1CC(=O)c1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK545950
Synonyms: methyl[(6-methoxy-2-methylquinolin-4-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1cc(C)nc2c1cc(OC)cc2

STK545951
Synonyms: 8-{[butyl(ethyl)amino]methyl}-3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: CCCCCCc1cc2c(c(c1O)CN(CCCC)CC)oc(c(c2=O)Oc1cc(C)cc(c1)C)C(F)(F)F

STK545952
Synonyms: (6aS,6bR,9aS,10R)-10-[(3-bromo-4-methoxyphenyl)carbonyl]-8-(naphthalen-1-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc3c1cccc3)C=Cc1c2cccc1

STK545953
Synonyms: (4bS,7aR,8S)-6-(4-methylphenyl)-8-(phenylcarbonyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)N=CC=C1

STK545956
Synonyms: methylcyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate
Smiles: COC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1)C#N

STK545957
Synonyms: (3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(2-fluorophenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)C(=O)c1ccccc1

STK545958
Synonyms: N-(4-chlorophenyl)-4-{[2-(4-propoxyphenyl)quinazolin-4-yl]oxy}benzamide
Smiles: CCCOc1ccc(cc1)c1nc(Oc2ccc(cc2)C(=O)Nc2ccc(cc2)Cl)c2c(n1)cccc2

STK545959
Synonyms: 3-{2-[(furan-2-ylcarbonyl)amino]-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}propylfuran-2-carboxylate
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1NC(=O)c1ccco1)CCCOC(=O)c1ccco1

STK545960
Synonyms: 11-(3-chloro-4-methoxyphenyl)-3-cyclohexyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1ccc(cc1Cl)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)C1CCCCC1

STK545961
Synonyms: (6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(2-methoxy-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2)[N+](=O)[O-]

STK545962
Synonyms: (8S,8aR,11aS)-10-(4-acetylphenyl)-8-[(4-chlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C

STK545963
Synonyms: ethyl4-{2-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)c1ccc(cc1)OC)O

STK545964
Synonyms: 11-benzyl-3-(tetrahydrofuran-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(cnc2c1c1nc3ccccc3nc1n2Cc1ccccc1)CC1CCCO1

STK545965
Synonyms: 3-(biphenyl-4-yloxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: CCN1CCN(CC1)Cc1c(O)ccc2c1oc(c(c2=O)Oc1ccc(cc1)c1ccccc1)C(F)(F)F