COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STK576802
Synonyms: 2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methyl-1,3-oxazol-2-yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2occ(n2)C)nc(cc1C(F)(F)F)c1ccc(cc1)OC
STK848687
Synonyms: 3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK576809
Synonyms: 5-(2,4-dichlorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccc(cc1Cl)Cl
STK576813
Synonyms: 5-(benzyloxy)-2-[4-(2-methoxyphenyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1ccccc1c1cnoc1c1ccc(cc1O)OCc1ccccc1
STK576815
Synonyms: 1,4-bis[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydropyrazino[2,3-b]quinoxaline
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN(c2c1nc1ccccc1n2)S(=O)(=O)c1ccc(cc1)C
STK576816
Synonyms: N-[4-(diethylamino)phenyl]-6-methoxy-1H-indole-2-carboxamide
Smiles: CCN(c1ccc(cc1)NC(=O)c1cc2c([nH]1)cc(cc2)OC)CC
STK848689
Synonyms: ethyl4-[(6-chloro-5,7-dimethyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1cc(=O)oc2c1c(C)c(c(c2)C)Cl
STK576823
Synonyms: 7-hydrazinyl-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: NNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C
STK576827
Synonyms: 4-chloro-N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1
STK576830
Synonyms: S-benzyl-N-{[trans-4-({[(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}methyl)cyclohexyl]carbonyl}-D-cysteine
Smiles: COc1ccc2c(c1OC)oc(=O)c(c2C)CC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](C(=O)O)CSCc1ccccc1
STK576833
Synonyms: 5-[(2,6-dichlorobenzyl)oxy]-2-[5-(2-methoxyphenoxy)pyrimidin-4-yl]phenol
Smiles: COc1ccccc1Oc1cncnc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl
STK576834
Synonyms: (5E)-5-({[2-(diethylamino)ethyl]amino}methylidene)-2-sulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
Smiles: CCN(CCN/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C(F)(F)F)S)CC
STK576836
Synonyms: N-(2-chloro-6-fluorobenzyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCc1c(F)cccc1Cl
STK576843
Synonyms: N-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylacetamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C)Cc1ccccc1
STK848693
Synonyms: 5-(4-methoxyphenyl)-2-(methylsulfonyl)-1',3'-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1c1ccccc1)c1ccccc1)S(=O)(=O)C
STK576847
Synonyms: 4-(bicyclo[2.2.1]hept-2-yl)-3-methylphenol
Smiles: Oc1ccc(c(c1)C)C1CC2CC1CC2
STK576852
Synonyms: 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccc(cc1)C(C)C
STK576853
Synonyms: 2-(furan-2-yl)-12-(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)c1ccco1
STK576854
Synonyms: (5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)(3-methyl-4-nitrophenyl)methanone
Smiles: O=C(N1CCc2c(C1=C)cc1c(c2)OCO1)c1ccc(c(c1)C)[N+](=O)[O-]
STK576857
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1cc(Cl)c(cc1O)C
STK576858
Synonyms: 4-[2-(prop-2-en-1-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxaline
Smiles: C=CCc1ccccc1Oc1nc2ccccc2n2c1nnc2
STK848695
Synonyms: 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-(benzyloxy)phenol
Smiles: COc1ccc(cc1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccccc1)N
STK848697
Synonyms: N-{2-[(3-chlorophenyl)carbamoyl]-1-benzofuran-3-yl}-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1oc2c(c1NC(=O)c1cc(=O)c3c(o1)c(C)cc(c3)C)cccc2
STK576871
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK848699
Synonyms: 1-benzyl-N-(3,4-dimethoxyphenyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1cc(ccc1OC)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK576873
Synonyms: N-[(2Z)-3-(4-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: COc1ccc(cc1)CN1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2
STK576874
Synonyms: 5-(benzyloxy)-2-[5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
Smiles: Clc1ccc(cc1)c1c(ncnc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1
STK576877
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)[1-(3-fluorophenyl)cyclopentyl]methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C1(CCCC1)c1cccc(c1)F
STK576885
Synonyms: 6-methoxy-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NC12CC3CC(C2)CC(C1)C3
STK576886
Synonyms: 7-chloro-1-hydroxy-9-oxo-9H-xanthen-3-ylN-[(benzyloxy)carbonyl]-D-alaninate
Smiles: O=C(N[C@@H](C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)Cl)C)OCc1ccccc1
STK576890
Synonyms: morpholin-4-yl(3,3,5,5-tetramethyl-1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl)methanone
Smiles: O=C(N1Cc2ccccc2C(CC1(C)C)(C)C)N1CCOCC1
STK576893
Synonyms: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(n1C)nc1n(c2=O)cccc1C
STK576894
Synonyms: 2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)C(F)(F)F
STK576895
Synonyms: 1-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(Cc2ccncc2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK576901
Synonyms: N-[3-(1H-tetrazol-1-yl)phenyl]pyridine-4-carboxamide
Smiles: O=C(c1ccncc1)Nc1cccc(c1)n1cnnn1
STK576902
Synonyms: N-[2-hydroxy-5-oxo-1-(4-sulfamoylbenzyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: OC1=NC(C(=O)N1Cc1ccc(cc1)S(=O)(=O)N)(NC(=O)c1ccccc1)C(F)(F)F
STK576903
Synonyms: 11-(4-fluorophenyl)-3-methyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: CC1CC(=C2C(=Nc3ccccc3NC2c2ccc(cc2)F)C1)O
STK576907
Synonyms: 1-hydroxy-9-oxo-9H-xanthen-3-ylN-[(benzyloxy)carbonyl]glycinate
Smiles: O=C(OCc1ccccc1)NCC(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1
STK576911
Synonyms: 2-{2-[(1-amino-7-cyclohexyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-5-yl)amino]ethoxy}ethanol
Smiles: OCCOCCNc1nc2[nH]nc(c2c2c1CN(CC2)C1CCCCC1)N
STK576916
Synonyms: 1-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-proline
Smiles: OC(=O)[C@@H]1CCCN1C(=O)CCn1nnc2c(c1=O)cccc2
STK576917
Synonyms: 5-({[(5Z)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccc(cc2)F)/C1=O)Nc1ccc(c(c1)C(=O)O)O
STK576919
Synonyms: N-[(1Z)-1-{1-cyano-2-[(3-methylphenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]pyridine-3-carboxamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccnc1)/C(=O)Nc1cccc(c1)C
STK848703
Synonyms: 3-[(3-chloro-4-fluorophenyl)amino]-2-benzofuran-1(3H)-one
Smiles: O=C1OC(c2c1cccc2)Nc1ccc(c(c1)Cl)F
STK576921
Synonyms: N-{7-[2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}glycine
Smiles: OC(=O)CNc1nc2c(n1CC(COc1ccc(cc1)C)O)c(=O)n(c(=O)n2C)C
STK576922
Synonyms: 7-(4-benzylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)Cc2ccccc2)n2c(n1)nc(n2)C(F)(F)F
STK576925
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C
STK848705
Synonyms: (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl4-nitrobenzoate
Smiles: O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2)OC(=O)c1ccc(cc1)[N+](=O)[O-]
STK576933
Synonyms: (4E)-2-(5-bromopyridin-2-yl)-4-(ethoxymethylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: CCO/C=C\1/C(=O)N(c2ccc(cn2)Br)C(=O)c2c1cccc2
STK576936
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-pentylpyrimidin-4-ol
Smiles: CCCCCc1c(C)nc(nc1O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK576940
Synonyms: ethyl4-[(3-{4-[(4-ethenylbenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)C=C
STK848709
Synonyms: 7-(benzylsulfanyl)-3-(4-chlorophenyl)-2-hydroxypyrimido[4,5-d]pyrimidin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(O)nc2c(c1=O)cnc(n2)SCc1ccccc1
STK576948
Synonyms: N-{[4-(propan-2-yl)phenyl]carbamoyl}-L-alanine
Smiles: C[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)C(C)C
STK576955
Synonyms: N'-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NCCN(C)C
STK848711
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)F)N
STK848713
Synonyms: 2-{[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: Cc1onc(c1)c1nnc(o1)SCC(=O)/N=c\1/scc([nH]1)C
STK576963
Synonyms: 7'-nitro-1-phenyl-1',2',3',3a'-tetrahydro-3H,5H,5'H-spiro[pyrazolidine-4,4'-pyrrolo[1,2-a]quinoline]-3,5-dione
Smiles: [O-][N+](=O)c1ccc2c(c1)CC1(C3N2CCC3)C(=O)NN(C1=O)c1ccccc1
STK576966
Synonyms: 2-(4-bromophenyl)-6-(4-methoxyphenyl)-6,7-dihydroimidazo[2,1-b][1,3]benzothiazol-8(5H)-one
Smiles: COc1ccc(cc1)C1CC(=O)c2c(C1)n1cc(nc1s2)c1ccc(cc1)Br
STK848715
Synonyms: 8-(2-methoxyphenyl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccccc1OC
STK576972
Synonyms: (2Z)-6-[(2,4-dichlorobenzyl)oxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: Clc1ccc(c(c1)Cl)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O
STK576983
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: CCc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O
STK576985
Synonyms: 3-(2,4-dimethoxyphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: COc1cc(OC)ccc1C1=NOC2(C1)CC(=O)N(C2=O)c1ccccc1
STK576988
Synonyms: 5,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]furo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)oc2c1c(NCCN1CCOCC1)ncn2
STK576989
Synonyms: 2-{[(5E)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1n[nH]/c(=N\C(=O)C)/s1
STK576996
Synonyms: 12-(furan-2-yl)-3-(4-methoxyphenyl)-2,3,4,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccco2)c2c(n3)cccc2)C1)O
STK577005
Synonyms: 6-methyl-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2cccnc2)ncn3)C1)O
STK577010
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1ccccc1c1cncnc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl
STK848724
Synonyms: 1-methyl-4-oxo-N-(pyridin-3-yl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)C)C(=O)Nc1cccnc1
STK848726
Synonyms: N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(thiophen-2-yl)acetamide
Smiles: CC(NS(=O)(=O)c1ccc(cc1)NC(=O)Cc1cccs1)C
STK577020
Synonyms: 6-chloro-7-methyl-4-oxo-N-[(2Z)-5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
Smiles: C=CCSc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)/s1
STK848728
Synonyms: (4E)-4-{[(4-methoxyphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1ccccc1)C
STK577023
Synonyms: 2-(furan-2-yl)-12-(2-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccccc1C1C2=C(Oc3c1c1nc(nn1cn3)c1ccco1)CC(CC2=O)(C)C
STK577025
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCCC1=CCCCC1
STK577026
Synonyms: 2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(4-sulfamoylbenzyl)propanamide
Smiles: CCc1cc(=O)oc2c1ccc(c2)OC(C(=O)NCc1ccc(cc1)S(=O)(=O)N)C
STK577027
Synonyms: 5-(3-fluorophenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: CSc1nc(=O)c2c(n1C)N=C(CC2c1cccc(c1)F)O
STK577030
Synonyms: 5,7,8-trimethyl-4-[(4-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
Smiles: CC1CCN(CC1)Cc1cc(=O)oc2c1c(C)cc(c2C)C
STK577032
Synonyms: N-(1H-indol-3-ylacetyl)alanine
Smiles: O=C(Cc1c[nH]c2c1cccc2)NC(C(=O)O)C
STK577034
Synonyms: 3-ethyl-8-({(Z)-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2'
Smiles: C=CCN1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)CC)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O
STK577039
Synonyms: 7-chloro-1-hydroxy-3-[(3-oxobutan-2-yl)oxy]-9H-xanthen-9-one
Smiles: CC(=O)C(Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)Cl)C
STK577043
Synonyms: 3-(5-fluoro-2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1)c([nH]n2)c1cc(F)ccc1O
STK848731
Synonyms: 2-[2-amino-5-(2-bromophenoxy)pyrimidin-4-yl]-5-(benzyloxy)phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccccc1)Oc1ccccc1Br
STK577044
Synonyms: (5E)-6-hydroxy-3-(2-methylphenyl)-5-(1-{[3-(morpholin-4-yl)propyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCCN1CCOCC1
STK577049
Synonyms: (1'S,3R,3'S,7a'S)-5''-ethyl-1'-[(4-fluorophenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)F
STK577050
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorobenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl)N
STK577051
Synonyms: 3-(3-chlorophenyl)-10-methyl-6-propyl-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCCc1cc(=O)oc2c1cc1CN(COc1c2C)c1cccc(c1)Cl
STK577053
Synonyms: (1Z)-1-{[(4-chlorophenyl)sulfonyl]methylidene}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccc(cc1)Cl
STK577055
Synonyms: 2-(pyridin-2-yl)-1-(pyridin-4-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: O=C1N(c2ccccn2)C(c2c1oc1ccccc1c2=O)c1ccncc1
STK577056
Synonyms: (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenyl-N-propylpropanamide
Smiles: CCCNC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1
STK577057
Synonyms: 6,7-dimethoxy-1-methyl-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1cccs1
STK577058
Synonyms: 3,6,6-trimethyl-N-[2-(morpholin-4-yl)ethyl]-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)NCCN1CCOCC1
STK577061
Synonyms: N'-[(3E)-1-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: COc1ccc2c(c1OC)C(=O)OC2N1C(=O)/C(=N/NC(=O)C)/c2c1cccc2
STK577063
Synonyms: 4-{[(phthalazin-1-ylsulfanyl)acetyl]amino}benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CSc1nncc2c1cccc2
STK848733
Synonyms: 7-(2,5-dimethylphenyl)-2-(pyridin-3-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(c(c1)n1ncc2c1ncn1c2nc(n1)c1cccnc1)C
STK848736
Synonyms: 1-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=O)CCc1ccc(c(c1)OC)OC)nc1n(c2=O)cc(cc1)C
STK848737
Synonyms: N-(4-chlorophenyl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1cc2c(n1C)nc1n(c2=O)cc(cc1)C
STK577071
Synonyms: 2-(7,8-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-methylcyclohexyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NC1CCCCC1C
STK848738
Synonyms: (5Z)-5-(5-bromo-2-thioxo-1,2-dihydro-3H-indol-3-ylidene)-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: Brc1ccc2c(c1)/C(=C\1/SC(=O)N=C1O)/C(=S)N2
STK577079
Synonyms: 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c(=O)c1c(o2)c(C)cc(c1)C
STK577082
Synonyms: 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)OCc1ccccc1)c([nH]n2)c1cc(C)cc(c1O)C
STK577086
Synonyms: 9-[4-(diethylamino)phenyl]-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nc2n(n1)C(c1ccc(cc1)N(CC)CC)C1=C(O)CCCC1=N2
STK577087
Synonyms: 3-(2-hydroxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C=Nc3c(N=C2CC(C1)c1ccccc1O)cccc3
STK577090
Synonyms: 4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6-ethyl-2H-chromen-2-one
Smiles: CCc1ccc2c(c1)c(CN1CCN(CC1)c1cccc(c1)Cl)cc(=O)o2
STK577093
Synonyms: 4-(4-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK577096
Synonyms: 5-methyl-6-(3-methylbutyl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CC(CCc1c(C)nc2n(c1O)nc(n2)C(F)(F)F)C
STK577098
Synonyms: ethyl4-[(3-{4-[(2-fluorobenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccccc1F
STK577101
Synonyms: (5Z)-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1)C
STK577102
Synonyms: 1-benzyl-3-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]thiourea
Smiles: COc1ccc2c(c1)s/c(=N\C(=S)NCc1ccccc1)/[nH]2
STK577103
Synonyms: (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O
STK848742
Synonyms: (2Z)-2-(3-methylbenzylidene)-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one
Smiles: CC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)C)/C2=O
STK577107
Synonyms: methyl4-({5-[4-(2-hydrazinyl-2-oxoethoxy)-2-hydroxyphenyl]-1H-pyrazol-4-yl}oxy)benzoate
Smiles: NNC(=O)COc1ccc(c(c1)O)c1[nH]ncc1Oc1ccc(cc1)C(=O)OC
STK848743
Synonyms: N-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1ccccc1O
STK577108
Synonyms: 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoicacid
Smiles: OC(=O)c1cccc(c1)Nc1ncnc2c1oc1c2cccc1
STK577114
Synonyms: (4Z)-4-(hydroxyimino)-3,6,6-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)NC1CC(C)(C)NC(C1)(C)C
STK577120
Synonyms: methylN-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl}-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)Nc1ccc(c(c1)Cl)N1CCN(CC1)C
STK577121
Synonyms: N-[(4-chlorophenyl)carbonyl]-3-(2-hydroxyquinolin-4-yl)alanine
Smiles: Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2
STK577122
Synonyms: 3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1ccc(c(c1)OC)C1CC(=C2C(=Nc3ccccc3N=C2)C1)O
STK577124
Synonyms: ethyl4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5,7-dimethyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2C
STK577126
Synonyms: 8-[(2E)-2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]-6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC1=NC(=O)/C(=N/Nc2nc3c(n2CC(COc2cccc(c2)C)O)c(O)nc(=O)n3C)/C(=N1)O
STK577132
Synonyms: 7-(3-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Smiles: COc1ccccc1NC(=O)C1=C(C)N=c2n(C1c1cccc(c1)F)nc([nH]2)SC
STK577135
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C
STK577137
Synonyms: N-(3-chloro-2-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1cccc(c1C)Cl
STK577143
Synonyms: 1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(Cc2ccco2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK577144
Synonyms: 10-methyl-1-(5-methyl-1,2-oxazol-3-yl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=O)c1noc(c1)C)nc1n(c2=O)cccc1C
STK577151
Synonyms: (5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-{[2-(trifluoromethyl)phenyl]amino}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cccn1C)Nc1ccccc1C(F)(F)F
STK577157
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1OC)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK577165
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(4-methoxybenzyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK577170
Synonyms: (4Z)-5-hydroxy-4-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc2c(c1)c(=O)c(co2)/C=C\1/C(=NN(C1=O)c1ccccc1)O
STK577173
Synonyms: N-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NS(=O)(=O)C)c1ccc(cc1)Br
STK577174
Synonyms: (5Z)-5-[2-(4-benzylpiperazin-1-yl)-5-nitrobenzylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C\c2cc(ccc2N2CCN(CC2)Cc2ccccc2)[N+](=O)[O-])/C(=N1)O
STK577176
Synonyms: (1E)-1-phenyl-N-[(9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]ethanimine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C(/c1ccccc1)\C
STK577177
Synonyms: 3-[3-(dimethylamino)propyl]-4-imino-5-(2-methoxyphenyl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c(=N)n(cn2)CCCN(C)C)O
STK577179
Synonyms: N-[2-hydroxy-5-oxo-1-(3-phenylpropyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)CCC(=O)NC1(N=C(N(C1=O)CCCc1ccccc1)O)C(F)(F)F
STL036518
Synonyms: N-[(2E)-6-fluoro-1,3-benzothiazol-2(3H)-ylidene]-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Fc1ccc2c(c1)s/c(=N/C(=O)c1cc(=O)c3c(o1)c(C)cc(c3)C)/[nH]2
STK577188
Synonyms: 4-imino-2-[4-(methylsulfanyl)phenyl]-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(cc1)SC
STK848747
Synonyms: 2,8,10-trimethyl-N-(3-methylphenyl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: Cc1cccc(c1)Nc1cc(C)nc2n1nc1c2c(C)cc(n1)C
STK848748
Synonyms: 3-(2,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-ylmorpholine-4-carboxylate
Smiles: COc1ccc(c(c1)OC)c1cc2ccc(cc2oc1=O)OC(=O)N1CCOCC1
STK577195
Synonyms: 7-fluoro-1-(4-methoxyphenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F
STK577196
Synonyms: N-benzyl-N-ethyl-6-methoxy-1H-indole-2-carboxamide
Smiles: CCN(C(=O)c1cc2c([nH]1)cc(cc2)OC)Cc1ccccc1
STK577200
Synonyms: 2-[(2,3-dichlorophenyl)amino]-4-(2-methoxyphenyl)-8-methyl-4,9-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: COc1ccccc1C1N=C(Nc2cccc(c2Cl)Cl)N=c2n1c(=O)cc([nH]2)C
STK577204
Synonyms: 2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-N-(2-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
Smiles: COc1ccccc1NC(=O)C1=C(C)NC(=NC1c1ccccc1)/N=c/1\oc2c([nH]1)cccc2
STK577206
Synonyms: 5-(2-hydroxyphenyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C
STK577208
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(2,4-dichlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl)N
STK577210
Synonyms: 3-(ethylsulfanyl)-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: CCSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C
STK577212
Synonyms: 8,10-dimethyl-N-(3-methylbutyl)-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: CCCc1cc(NCCC(C)C)n2c(n1)c1c(C)cc(nc1n2)C
STK577213
Synonyms: 7-(2-methylphenyl)-3-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nnc1c1ccccc1
STK848751
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)acetamide
Smiles: O=C(Nc1nonc1c1ccc(cc1)Cl)COc1ccc(cc1)F
STK577215
Synonyms: 4-chloro-N-[(2Z)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N/C(=O)c2ccc(cc2)Cl)/s1
STK577219
Synonyms: 1,3-dimethyl-5-[1-(2-phenylhydrazinyl)ethylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=C(NNc2ccccc2)C)C1=O
STK577224
Synonyms: 3-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: CN(CCCn1c(=O)n(c2ccc(cc2)Cl)c(=O)c2c1sc1c2CCN(C1)C)C
STK577227
Synonyms: 4-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl]benzoicacid
Smiles: O=C1/C(=C\c2ccco2)/N=C(N1c1ccc(cc1)C(=O)O)c1ccccc1
STK848755
Synonyms: 3-benzyl-2-ethyl-8-methoxy-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)CC)Cc1ccccc1
STK577232
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1C)O
STK577234
Synonyms: N-cyclopentyl-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-amine3-oxide
Smiles: O=P1(COc2c(OC1)cccc2)NC1CCCC1
STK577236
Synonyms: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl[2-(4-methoxyphenyl)quinolin-4-yl]methanone
Smiles: COc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)N1CCC2(CC1)OCCO2
STK577241
Synonyms: methylN-(morpholin-4-ylcarbonyl)-L-phenylalaninate
Smiles: COC(=O)[C@@H](NC(=O)N1CCOCC1)Cc1ccccc1
STK848759
Synonyms: 2-phenyl-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)c1ccccc1
STK577247
Synonyms: N-(3-chlorophenyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1[nH]nc2c1CCCC2
STK577249
Synonyms: ethyl4-[(3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2
STK577250
Synonyms: 3-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-6-methoxy-4H-chromen-4-one
Smiles: COc1cc2c(=O)c(/C=C/3\SC(=S)N=C3O)coc2cc1
STK577251
Synonyms: 1-(3-bromopropyl)-4-hydroxypyrimidin-2(1H)-one
Smiles: Oc1ccn(c(=O)n1)CCCBr
STK577252
Synonyms: 4-(4-tert-butylphenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c([nH]n2)c1cc(Cl)c(cc1O)C
STK577254
Synonyms: 2-amino-6-hydroxy-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c(n2)N)(C)C
STK577259
Synonyms: N-(2,3-dimethylphenyl)-2-[(1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy]acetamide
Smiles: O=C(Nc1cccc(c1C)C)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C
STK577260
Synonyms: 7-(2-ethoxyethyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)Cc1nc2c(n1CCOCC)c(=O)n(c(=O)n2C)C
STK577265
Synonyms: 2-(ethylsulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)CC
STK577268
Synonyms: 4-(3-bromophenyl)-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)Br)c([nH]n2)c1cc(Cl)c(cc1O)C
STK577275
Synonyms: 4-amino-N-(2-methylpropyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: CC(CNC(=O)c1sc(=S)n(c1N)c1ccccc1)C
STK577277
Synonyms: 4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)ccc1/C=N/n1c(=S)[nH]nc1c1ccccn1
STK577280
Synonyms: 12-(2-methoxyphenyl)-9,9-dimethyl-2-(pyridin-4-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccccc1C1C2=C(Oc3c1c1nc(nn1cn3)c1ccncc1)CC(CC2=O)(C)C
STK577283
Synonyms: 5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)NCCCN1CCCC1=O
STK577284
Synonyms: 4-{[(3-methoxypropyl)amino]methyl}quinolin-2-ol
Smiles: COCCCNCc1cc(O)nc2c1cccc2
STK577286
Synonyms: ethyl[(2Z)-2-{[(2E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)/C=C/c2cc(OC)ccc2OC)/[nH]1
STK577290
Synonyms: 2-ethyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide1,1-dioxide
Smiles: CCN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)Nc1noc(c1)C
STK577292
Synonyms: 14-(4-fluorophenyl)-2,3,4,6,7,14-hexahydro-1H-[1,3]dioxolo[6,7]isoquino[2,1-a]quinolin-1-one
Smiles: Fc1ccc(cc1)C1C=C2N(C3=C1C(=O)CCC3)CCc1c2cc2OCOc2c1
STK577293
Synonyms: 3,4-dihydroisoquinolin-2(1H)-yl(5-methoxy-3-methyl-1H-indol-2-yl)methanone
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)N1CCc2c(C1)cccc2
STK577294
Synonyms: 1-benzyl-9-methyl-N-(3-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK577299
Synonyms: (5Z)-3-(4-fluorobenzyl)-5-{[5-(3-fluorophenyl)furan-2-yl]methylidene}-2-hydroxy-3,5-dihydro-4H-imidazol-4-one
Smiles: Fc1ccc(cc1)CN1C(=N/C(=C\c2ccc(o2)c2cccc(c2)F)/C1=O)O
STK577303
Synonyms: 8-[4-(2-chloro-6-fluorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1c(F)cccc1Cl
STK577304
Synonyms: (5Z)-1-cyclopropyl-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=O)N=C(N(C2=O)C2CC2)S)C(=NC(=NC1=O)O)O
STK577305
Synonyms: N-cyclohexyl-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(NC2CCCCC2)n2c(n1)c(c1ccccc1)c(n2)C
STK577309
Synonyms: ethyl4-({(6Z)-4-amino-6-[(4-methylphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-yl}methyl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2)C)/[nH]1
STK577310
Synonyms: (5s,7s)-5-ethyl-7-methyl-2-(5-nitrofuran-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1ccc(o1)[N+](=O)[O-])C
STK577315
Synonyms: 6-hydroxy-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-2H-purin-2-one
Smiles: CN1CCN(CC1)Cc1[nH]c2c(n1)n(C)c(=O)nc2O
STK848771
Synonyms: 3,6,6-trimethyl-4-oxo-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)NCc1cccnc1
STK577318
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccc(cc2OC)OC)c2c(n1)CC(OC2)(C)C
STK577324
Synonyms: 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)NC1CCS(=O)(=O)C1
STK577325
Synonyms: (5,6-dimethoxy-1H-indol-2-yl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCN(CC1)c1ccccc1OC
STK577328
Synonyms: (4E)-2-(2,5-dichlorophenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1ccc(c(c1)N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2)Cl
STK577333
Synonyms: 3-(2-methoxyphenyl)-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2N1CCN(CC1)C
STK577337
Synonyms: 2-(2-chlorophenyl)-12-(furan-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccccc1Cl
STK577338
Synonyms: N-benzyl-6-methoxy-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCc1ccccc1
STK577339
Synonyms: 5-[(4-fluorobenzyl)oxy]-2-[4-(2-methoxyphenyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1ccccc1c1cnoc1c1ccc(cc1O)OCc1ccc(cc1)F
STK577341
Synonyms: 2-(4-chlorophenyl)-7-(4-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Fc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)c1ccc(cc1)Cl
STK848781
Synonyms: 1-(3-methoxypropyl)-4-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1ccccc1
STK577344
Synonyms: 9,10-dimethoxy-2-[(2-methylphenyl)amino]-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Nc2ccccc2C)nc1=O
STK577345
Synonyms: 2'-amino-5',6'-dimethyl-3,4'-bipyridine-3'-carbonitrile
Smiles: N#Cc1c(N)nc(c(c1c1cccnc1)C)C
STK577349
Synonyms: N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]tetrahydrofuran-2-carboxamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)C1CCCO1)Cc1ccco1
STK848783
Synonyms: 3-benzyl-8-(2,3-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1OC)OC)Cc1ccccc1
STK577352
Synonyms: 5-methoxy-3-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}-1H-indole-2-carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1cc(C)ccc1OC)c([nH]2)C(=O)O
STK577356
Synonyms: N-{4-[(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1c(Cc2ccccc2)c(C)nc2n1nc(c2c1ccccc1)C
STK577358
Synonyms: 9-(3,5-difluorophenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cc(F)cc(c1)F
STK577360
Synonyms: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2C)C)NCc1cccnc1
STK848785
Synonyms: 7-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)cc(cc3)C)sc2c1CCCC2
STK577366
Synonyms: 2-(5-chlorothiophen-2-yl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline
Smiles: COc1cc2c(cc1OC)CCn1c2cc(c1)c1ccc(s1)Cl
STK577368
Synonyms: N-[(3-bromophenyl)carbamoyl]-D-methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)Nc1cccc(c1)Br
STK577369
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1cccs1)C
STK848786
Synonyms: methyl4-{[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]oxy}benzoate
Smiles: COc1ccc(c(c1)O)c1[nH]nc(c1Oc1ccc(cc1)C(=O)OC)C
STK577371
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-4-oxo-4H-chromen-7-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1occ(c2=O)c1nc2c(s1)cccc2)C
STK577372
Synonyms: N,N-bis(2-methoxyethyl)-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N(CCOC)CCOC
STK577373
Synonyms: N-methyl-N-[1-(thiophen-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzenesulfonamide
Smiles: CN(S(=O)(=O)c1ccccc1)c1nc2ccccc2n2c1nnc2c1cccs1
STK577374
Synonyms: 2-{[(2Z)-4-hydroxy-1,3-thiazol-2(5H)-ylidene]amino}-2-oxoethyldiethylcarbamodithioate
Smiles: CCN(C(=S)SCC(=O)/N=C/1\SCC(=N1)O)CC
STK577376
Synonyms: N-{2-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}benzamide
Smiles: COc1ccc2c(c1)c(CCN1C(=NC(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)O)c[nH]2
STK848788
Synonyms: azepan-1-yl[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]methanone
Smiles: O=C(c1cccnc1c1nc2c(s1)cccc2)N1CCCCCC1
STK577377
Synonyms: 2-methyl-9-{4-[2-(naphthalen-1-yloxy)ethyl]piperazin-1-yl}-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCN(CC2)CCOc2cccc3c2cccc3)CCCC1
STK577380
Synonyms: 6-amino-4-hydroxy-1-(2-methoxybenzyl)pyrimidin-2(1H)-one
Smiles: COc1ccccc1Cn1c(N)cc(nc1=O)O
STK577382
Synonyms: N-[(2Z)-3-(2,5-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: COc1ccc(c(c1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2)OC
STK577385
Synonyms: N,N,3,6,6-pentamethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: CN(C(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C)C
STK848789
Synonyms: 8-(3-chloro-2-methylphenyl)-1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1cccc(c1C)n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C
STK848790
Synonyms: 8,10-dimethyl-4-(2-methyl-1H-imidazol-1-yl)-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1nc2c3c(C)cc(nc3nn2c(c1)n1ccnc1C)C
STK577390
Synonyms: 7-hydroxy-5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)C1CC(=Nc2c1c(=O)[nH]c(n2)C)O
STK848791
Synonyms: 1-[4-(propan-2-yl)phenyl]-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(c1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1)C
STK848792
Synonyms: N-(furan-2-ylmethyl)-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1ccco1
STK577391
Synonyms: N-[(4-fluorophenyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)F)C
STK577393
Synonyms: 4-chloro-N-(1-methyl-2-{2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-1H-benzimidazol-5-yl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)nc(n2C)CCN1CCN(CC1)c1ccccn1
STK577395
Synonyms: 4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide
Smiles: CC(N(S(=O)(=O)c1ccc(cc1)C(=O)C)C)CCc1ccco1
STK848796
Synonyms: 4-chloro-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1
STK577408
Synonyms: N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylbutanamide
Smiles: CCC(c1ccccc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl
STK848797
Synonyms: 2-[(2,5-dimethoxyphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
Smiles: COc1ccc(cc1Nc1nc(=O)c2c(s1)nccc2)OC
STK577415
Synonyms: 4-amino-N-(5-chloro-2-methoxyphenyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1sc(=S)n(c1N)C)Cl
STK577417
Synonyms: N-(3-chloro-2-methylphenyl)-5-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)O)c1[nH]nc(c1)C(=O)Nc1cccc(c1C)Cl
STK848799
Synonyms: 5-(propan-2-yl)-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)C(C)C)N/N=C/c1ccccn1
STK577421
Synonyms: 2-methyl-7-[4-(2-methylphenyl)piperazin-1-yl]-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)c2ccccc2C)n2c(n1)c(c1ccccc1)c(n2)C
STK848802
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2NCc1ccccn1)C(C)(C)C
STK577427
Synonyms: 5-amino-1-(3-chloro-2-methylphenyl)-4-(4-hydroxyquinazolin-2-yl)-1,2-dihydro-3H-pyrrol-3-one
Smiles: O=C1CN(C(=C1c1nc(O)c2c(n1)cccc2)N)c1cccc(c1C)Cl
STK848803
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c([nH]n2)c1ccccc1O
STK848804
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: COc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C)C1CCS(=O)(=O)C1
STK577430
Synonyms: 2,10-dimethyl-3-phenylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: Cc1nc2c(c(=O)n1c1ccccc1)c(=O)c1c(n2C)cccc1
STK577432
Synonyms: N-(1-hydroxybutan-2-yl)-5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCC(NC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCC2)CO
STK577437
Synonyms: 5-[1-{[(4-chlorophenyl)amino]acetyl}-5-(4-methoxyphenyl)pyrazolidin-3-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)C1CC(=C2C(=O)N(C)C(=O)N(C2=O)C)NN1C(=O)CNc1ccc(cc1)Cl
STK577439
Synonyms: methyl6-(3-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Smiles: COC(=O)c1oc2c(c1C)C(=O)CC(C2)c1cccc(c1)Cl
STK577441
Synonyms: 2-(benzylsulfanyl)-6-(2-hydroxyethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: OCCc1c(C)nc2n(c1O)nc(n2)SCc1ccccc1
STK577444
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-chlorophenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1cc(Cl)c(cc1O)C
STK577448
Synonyms: 2-({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
Smiles: N[C@H](c1nnc(o1)SCC(=O)Nc1cccc(c1C)Cl)CC(C)C
STK577451
Synonyms: 1-(2-{[(2E)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)piperidine-4-carboxamide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)CN1CCC(CC1)C(=O)N)/[nH]2
STK577457
Synonyms: 7-(1H-benzimidazol-1-yl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1nc2c(cnn2c(c1)n1cnc2c1cccc2)c1ccccc1
STK848806
Synonyms: N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Smiles: O=C(C1COc2c(O1)cccc2)Nc1nonc1c1ccccc1
STK577459
Synonyms: 2,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
Smiles: Oc1c2CCCCc2nc2n1nc(c2c1ccccc1)c1ccccc1
STK577461
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)NCc1ccc2c(c1)OCO2
STK577467
Synonyms: 6-hydroxy-3-methyl-8-[(4-methylbenzyl)amino]-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)Cn1c(NCc2ccc(cc2)C)nc2c1c(O)nc(=O)n2C
STK577471
Synonyms: 5-tert-butyl-3-phenyl-7-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)C/C=C/c2ccccc2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK577480
Synonyms: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)ccc2O)sc2c1CCCC2
STK848808
Synonyms: 2,7-dimethyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1)C
STK577483
Synonyms: 5-[(3-methoxybenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: COc1cccc(c1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1
STK577489
Synonyms: tert-butyl(3S)-3-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(Nc1ccc2c(c1)OCO2)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
STK577490
Synonyms: 3-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C
STK848809
Synonyms: 2-(4-chlorophenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)Cc1ccc(cc1)Cl
STK848810
Synonyms: 3-(2-chlorophenyl)-5-methyl-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(NCCN2CCOCC2)n2c(n1)c(cn2)c1ccccc1Cl
STK577494
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-5,6-dimethyl-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(NCCCn1cncc1)ncn2)c1ccccn1
STK577496
Synonyms: 3-{(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C/c2ccc3c(c2)CC(O3)C)/C1=O
STK577498
Synonyms: 3-(1,3-benzodioxol-5-ylmethyl)-2',6'-dihydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)[N+](=O)[O-]
STK577500
Synonyms: 7-benzyl-9-(trifluoromethyl)thieno[2,3-b:4,5-b']dipyridine-2,4-diol
Smiles: Oc1cc(O)c2c(n1)c1c(s2)nc(cc1C(F)(F)F)Cc1ccccc1
STK577503
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1cccnc1)Cc1cccnc1
STK577506
Synonyms: 4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NCCCN1CCCC1=O
STK577507
Synonyms: N-(4-{[5-tert-butyl-3-(2-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1Cl)C)C(C)(C)C
STK577508
Synonyms: 2'-hydroxy-1',9-dimethyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: Cc1ccc2c(c1)cc1c(n2)N2CCCCC2C2(C1)C(=O)N=C(N(C2=O)C)O
STK848812
Synonyms: 5-tert-butyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1ccc(cc1)c1cnn2c1nc(cc2O)C(C)(C)C
STK577516
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)OC)c([nH]n2)c1cc(C)cc(c1O)C
STK577517
Synonyms: 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2)/C1=O)NCCc1c[nH]c2c1cccc2
STK577518
Synonyms: 2-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(2,6-dichlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl)N
STK577520
Synonyms: 2',6'-dihydroxy-4-methyl-3,4-dihydro-1H,4'H-spiro[benzo[f]quinoline-2,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)CN(C)c1c(C2)c2ccccc2cc1
STK577523
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(2-ethoxyphenyl)hexanamide
Smiles: CCOc1ccccc1NC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK577524
Synonyms: cyclopropyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C1CC1
STK577528
Synonyms: N-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
Smiles: CN(CCNC(=O)c1c2CCCc2nc2c1cccc2)C
STK577529
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)Cc1cccs1
STK577531
Synonyms: tert-butyl(3S)-3-{[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
STK848818
Synonyms: N-(2,5-difluorophenyl)quinoxaline-6-carboxamide
Smiles: Fc1ccc(c(c1)NC(=O)c1ccc2c(c1)nccn2)F
STK848819
Synonyms: N-(3-chloro-4-fluorophenyl)-2-hydroxy-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1ccc(c(c1)Cl)F)C(=O)CC(C2)(C)C
STK577534
Synonyms: 4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-chromen-2-one
Smiles: Cc1cc(C)c2c(c1)oc(=O)cc2CN1CCN(CC1)C(c1ccccc1)c1ccccc1
STK848821
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(F)ccc1C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O
STK577537
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-furan-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccco1
STK577539
Synonyms: ethyl4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)c1c(C)[nH]c(c1C(=O)CN1CCc2c(C1)cc(c(c2)OC)OC)C
STK577541
Synonyms: (5Z)-5-(3,4-dimethoxybenzylidene)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(c(c2)OC)OC)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK577542
Synonyms: 5-({3-[(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)C(=O)O)O)CCN1C(=O)S/C(=C/c2ccc(cc2)F)/C1=O
STK848822
Synonyms: (4Z)-4-{[(4-chlorophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)N/C=C\1/C(=NN(C1=O)c1ccccc1)C
STK577545
Synonyms: N-[2-(furan-2-yl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide
Smiles: CC(CC(=O)Nc1cc(O)nc2n1nc(n2)c1ccco1)C
STK577550
Synonyms: 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2N1CCN(CC1)Cc1ccccc1
STK577554
Synonyms: N-[(2Z)-3-(4-acetylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-cyclopentylpropanamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc(cc1)C(=O)C)CS(=O)(=O)C2)CCC1CCCC1
STK848824
Synonyms: 2-ethyl-5-methyl-N-[3-(morpholin-4-yl)propyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCc1nn2c(c1c1ccccc1)nc(cc2NCCCN1CCOCC1)C
STK577555
Synonyms: 2,4-dichloro-N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1
STK577559
Synonyms: 2-[4-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: Brc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]
STK577560
Synonyms: 1-(4-bromophenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Brc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK577561
Synonyms: ethyl4-({4-[(cyclohexyloxy)carbonyl]phenyl}amino)-6-methylquinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1)C(=O)OC1CCCCC1)cc(cc2)C
STK577562
Synonyms: 5-tert-butyl-N-(3,4-dimethylphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2Nc1ccc(c(c1)C)C)C(C)(C)C
STK577565
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccccc1)c([nH]n2)c1cc(Cl)c(cc1O)C
STK577569
Synonyms: trans-4-({[(2R)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-(1H-indol-3-yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: OC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2
STK577571
Synonyms: 5-bromo-2-[(2E)-2-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)hydrazinyl]benzoicacid
Smiles: N#CC1=C(C)/C(=N\Nc2ccc(cc2C(=O)O)Br)/C(=O)N=C1O
STK848827
Synonyms: N-(5-chloro-2-methoxyphenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)N=C(CC1c1ccc(c(c1)OC)OC)O
STK848828
Synonyms: 3-phenyl-5-(propan-2-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCc2ccccn2)n2c(n1)c(cn2)c1ccccc1)C
STK577577
Synonyms: N,5-dimethyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: CNc1sc(c(n1)c1c(C)[nH]c2c1cccc2)C
STK577582
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)thiophene-2-carboxamide
Smiles: Brc1cccc(c1)CN(C(=O)c1cccs1)C1CCS(=O)(=O)C1
STK577587
Synonyms: 5-[(2,4-dichlorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl
STK848835
Synonyms: 6-ethyl-4-oxo-N-(4-sulfamoylphenyl)-4H-chromene-2-carboxamide
Smiles: CCc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N
STK577589
Synonyms: 3-[(2,5-dimethylbenzyl)sulfanyl]-5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: COc1ccccc1c1nnc(n1c1ccccc1)SCc1cc(C)ccc1C
STK577590
Synonyms: 2-(9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1N
STK577591
Synonyms: N-(5-chloro-2-cyanophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1cc(Cl)ccc1C#N
STK577592
Synonyms: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]glycine
Smiles: OC(=O)CNC(=O)N1CC(=Nc2c1cccc2)O
STK577593
Synonyms: methylN-[(4-sulfamoylbenzyl)carbamoyl]-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(cc1)S(=O)(=O)N
STK577596
Synonyms: (2-hydroxy-6,6-dimethyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)aceticacid
Smiles: OC(=O)Cn1c(O)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK848840
Synonyms: 2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-4-methyl-N-phenylpyrimidine-5-carboxamide
Smiles: O=C(c1cnc(nc1C)/N=c/1\oc2c([nH]1)cccc2)Nc1ccccc1
STK848841
Synonyms: 2-{[(5E)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1n[nH]/c(=N\C(=O)C)/s1
STK577598
Synonyms: 5-(2,5-dimethoxyphenyl)-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: COc1ccc(cc1c1[nH]nc(c1)C(=O)N/N=C/c1cccs1)OC
STK577600
Synonyms: 8,9,10,11-tetrahydro-7H-cyclohepta[5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol
Smiles: Oc1nc(O)c2c(n1)c1cc3CCCCCc3nc1s2
STK577601
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylbenzenesulfonamide
Smiles: CCCN(S(=O)(=O)c1ccccc1)Cc1cc2ccc(cc2[nH]c1=O)C
STK577602
Synonyms: 2,4-dihydroxy-6,7-dimethoxy-N-(4-methylbenzyl)quinoline-3-carboxamide
Smiles: COc1cc2nc(O)c(c(c2cc1OC)O)C(=O)NCc1ccc(cc1)C
STK577604
Synonyms: N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-beta-alanine
Smiles: OC(=O)CCNC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2
STK848843
Synonyms: 1-(3-methoxypropyl)-N,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NC
STK577610
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)C12CC3CC(C2)CC(C1)C3
STK577611
Synonyms: (2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-N'-nitrohydrazinecarboximidamide
Smiles: N/C(=N\[N+](=O)[O-])/N/N=C/c1cccn1C
STK577615
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethylphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCc1ccc(cc1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK848845
Synonyms: 8-(furan-2-ylmethyl)-1,7-dimethyl-3-(2-methylpropyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)Cc1ccco1)C)C
STK577620
Synonyms: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)Cl
STK577621
Synonyms: 5-({[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccc(cc2)Cl)/C1=O)Nc1ccc(c(c1)C(=O)O)O
STK848847
Synonyms: 6,8-dimethyl-4-oxo-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccccc1
STK577629
Synonyms: N-[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl]ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C
STK577630
Synonyms: (5Z)-2-(2-chlorophenyl)-5-(3,4-dimethoxybenzylidene)-3-methyl-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1cc(ccc1OC)/C=C/1\N=C(N(C1=O)C)c1ccccc1Cl
STK577631
Synonyms: N-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxo-2,5-dihydropyridazin-3-yl]butanamide
Smiles: CCCC(=O)Nc1c(c2ccc(cc2)OC)c(=O)c(nn1c1ccc(cc1)Cl)C
STK577632
Synonyms: 1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccco2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK577634
Synonyms: (2Z)-6-[(2-fluorobenzyl)oxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: CC1Oc2ccccc2C=C1/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccccc1F
STK848849
Synonyms: methyl{7-hydroxy-5-methyl-2-[(thiophen-2-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)NCc1cccs1
STK577638
Synonyms: (3E)-3-{2-oxo-2-[4-(propan-2-yloxy)phenyl]ethylidene}-1,3-dihydro-2H-indol-2-one
Smiles: CC(Oc1ccc(cc1)C(=O)/C=C\1/C(=O)Nc2c1cccc2)C
STK848850
Synonyms: (4Z)-6-(1-benzofuran-2-yl)-4-[(4-fluorophenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Fc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)c1cc2c(o1)cccc2
STK577644
Synonyms: 4-{[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-5-olate
Smiles: Cc1cc([O-])c2c(c1)oc(=O)cc2C[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1
STK577645
Synonyms: 8-(3-ethoxyphenyl)-9-(5-methyl-1,2-oxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: CCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1
STK577646
Synonyms: 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccn1
STK577648
Synonyms: 4-hydroxy-5-iodopyrimidin-2(1H)-one
Smiles: Oc1nc(=O)[nH]cc1I
STK577649
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine
Smiles: Nn1c(nnc1c1[nH]nc2c1CCC2)SCc1c(Cl)cccc1Cl
STK577652
Synonyms: (2R)-({N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]glycyl}amino)(phenyl)ethanoicacid
Smiles: OC1=Nc2ccccc2N(C1)C(=O)NCC(=O)N[C@H](c1ccccc1)C(=O)O
STK577657
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OCC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK577659
Synonyms: (5Z)-3-hexyl-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O
STK577660
Synonyms: 6-(2-chlorobenzyl)-7,9-dimethyl-6H-indolo[2,3-b]quinoxaline
Smiles: Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1Cl
STK577663
Synonyms: 8-(4-benzylpiperidin-1-yl)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)Cc1ccccc1
STK848854
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1)c([nH]n2)c1ccccc1O
STK848855
Synonyms: 4-(1,3-benzodioxol-5-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCO2)c1ccncc1
STK577668
Synonyms: (1-hydroxy-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)(4-phenoxyphenyl)methanone
Smiles: O=C(c1nc2c(n1O)CCCC2)c1ccc(cc1)Oc1ccccc1
STK848857
Synonyms: 4-[4-(2-ethoxyphenoxy)-1H-pyrazol-3-yl]benzene-1,3-diol
Smiles: CCOc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)O
STK577674
Synonyms: 4-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)C
STK577679
Synonyms: 5,6-dimethyl-7-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1ccc(cc1)n1c(C)c(c2c1ncnc2Nc1nccs1)C
STK577683
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1cc(C)cc(c1O)C
STK577686
Synonyms: 12-(2-methoxyphenyl)-2,9,9-trimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccccc1C1C2=C(Oc3c1c1nc(nn1cn3)C)CC(CC2=O)(C)C
STK848859
Synonyms: N-[1-(2-fluorophenyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3,4,5-trimethoxybenzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC1(N=C(N(C1=O)c1ccccc1F)O)C(F)(F)F
STK577690
Synonyms: 3-(2,4-dimethoxyphenyl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1ccc(c(c1)OC)C1CC(=C2C(=Nc3ccccc3N=C2C)C1)O
STK577691
Synonyms: N-(3-bromobenzyl)-5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
Smiles: Clc1ccc2c(c1)c(C)c(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK577693
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl
STK848864
Synonyms: 2-methyl-7-(morpholin-4-yl)-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCOCC2)n2c(n1)c(c1ccccc1)c(n2)C)C
STK577694
Synonyms: 2-amino-4-(furan-2-yl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccco1)c(O)nc(c2)C
STK577697
Synonyms: 3-[3-(dimethylamino)propyl]-5-(furan-2-yl)-4-imino-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: CN(CCCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)cc(cc1)O)C
STK848865
Synonyms: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1ccccc1O
STK577699
Synonyms: 1-(3-chlorophenyl)-6-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1cccc(c1)Cl)S
STK577700
Synonyms: 2-(1-methoxypropan-2-yl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: COCC(N1Cc2c(C1=N)cccc2)C
STK577701
Synonyms: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-2-carboxamide
Smiles: Cc1ccc(cc1)c1noc(c1)NC(=O)c1ccco1
STK577704
Synonyms: (5-fluoro-1H-indol-2-yl)[4-(furan-2-ylcarbonyl)piperazin-1-yl]methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CCN(CC1)C(=O)c1ccco1
STK848867
Synonyms: 4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-propyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1ccccc1O
STK577706
Synonyms: methylN-{(E)-[4-hydroxy-1-(3-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1cccc(c1)OC)O
STK577708
Synonyms: 6-benzyl-5-methyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1Cc1ccccc1)O)COc1ccccc1
STK848868
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccc(cc1OC)c1c(C)nn2c1nc(C)cc2NCc1ccccn1
STK577711
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: CC(CN(S(=O)(=O)c1cccc2c1non2)Cc1cc2ccc(cc2[nH]c1=O)C)C
STK577714
Synonyms: 3-benzyl-2-{[2-(2-hydroxyethoxy)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: OCCOCCNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3
STK577715
Synonyms: 4-(3-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK848869
Synonyms: 2-[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one
Smiles: S=c1[nH]nc(n1c1ccccc1)Cn1ncc2c(c1=O)cccc2
STK848870
Synonyms: 1-(3-methoxypropyl)-N-(2-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1ccccc1C
STK848871
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(2,4-dimethoxyphenyl)propanamide
Smiles: COc1cc(OC)ccc1NC(=O)CCC1COc2c(O1)cccc2
STK577719
Synonyms: 3-(4-methoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N=C2)C1)O
STK577720
Synonyms: 10-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Clc1ccc(c(c1)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)O
STK848872
Synonyms: ethyl2-amino-1-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)S(=O)(=O)N(CC)CC
STK577732
Synonyms: 6-benzyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1Cc1ccccc1)O)c1ccccc1
STK577734
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(2-ethoxyphenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCC(C2)C
STK848876
Synonyms: 7-(morpholin-4-yl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCOCC2)n2c(n1)c(cn2)c1ccccc1
STK848877
Synonyms: 3-(4-chlorophenyl)-5-methyl-7-[4-(2-methylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2N1CCN(CC1)c1ccccc1C
STK577738
Synonyms: 6-cyclohexyl-1-(pyridin-3-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)C1CCCCC1)Cc1cccnc1
STK577749
Synonyms: 2-hydroxy-N-(3-methoxyphenyl)-5-oxo-7-phenyl-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1cccc(c1)NC(=O)C1CC(=NC2=C1C(=O)CC(C2)c1ccccc1)O
STK577750
Synonyms: 8-bromo-6-hydroxy-3-methyl-7-propyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCn1c(Br)nc2c1c(O)nc(=O)n2C
STK577751
Synonyms: N-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]phenyl}carbonyl)-L-alanine
Smiles: C[C@@H](C(=O)O)NC(=O)c1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK577755
Synonyms: 6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)CCn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1
STK577756
Synonyms: 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(pyridin-3-yl)butanamide
Smiles: O=C(Nc1cccnc1)CCCn1nnc2c(c1=O)cccc2
STK577757
Synonyms: 5-[(4-chlorobenzyl)oxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: CCOc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)Cl
STK577760
Synonyms: 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(pyridin-3-yl)-4,6,7,8-tetrahydroquinazolin-5-ol
Smiles: OC1=C2C(=NC(=NC2c2cccnc2)Nc2nc3c(o2)cccc3)CC(C1)(C)C
STK848879
Synonyms: 2-fluoro-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
Smiles: Fc1ccccc1C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)CC1CCCO1
STK577764
Synonyms: 1,3-dimethyl-5-[5-(naphthalen-1-yl)pyrazolidin-3-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=C2NNC(C2)c2cccc3c2cccc3)C(=O)N1C
STK577765
Synonyms: 1-[10-(furan-2-yl)-8-methyl-2-(pyridin-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1ccccn1
STK577771
Synonyms: (1'S,3R,3'S,7a'S)-5''-chloro-1'-(naphthalen-2-ylcarbonyl)-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Clc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)cccc2
STK848881
Synonyms: 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1Cl
STK577778
Synonyms: 7-{(E)-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
Smiles: O=c1[nH]c2cc3OCOc3cc2cc1/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1
STK577784
Synonyms: 2-[5,7-bis(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Smiles: Clc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)N1C(=O)C2C(C1=O)CC=CC2)c1ccc(cc1)Cl
STK848882
Synonyms: 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-(tetrahydrofuran-2-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cccc(c1)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK577789
Synonyms: 2-[5-hydroxy-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1H-isoindole-1,3(2H)-dione
Smiles: Oc1cc(N2C(=O)c3c(C2=O)cccc3)n2c(n1)nc(n2)COc1ccccc1
STK848883
Synonyms: 1-benzyl-N-(5-chloro-2-methoxyphenyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)Cl
STK848884
Synonyms: 1-[7,9-dimethyl-4-(thiophen-2-yl)-2,3,3a,9b-tetrahydrofuro[3,2-c]quinolin-5(4H)-yl]ethanone
Smiles: Cc1cc(C)c2c(c1)N(C(=O)C)C(C1C2OCC1)c1cccs1
STK577790
Synonyms: ethyl2-(2-hydroxyphenyl)-10-(4-methoxyphenyl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccc(cc1)OC)c1nc(nn1cn2)c1ccccc1O
STK577791
Synonyms: 2,6-dihydroxy-3-(prop-2-en-1-yl)-5-{(2E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl}pyrimidin-4(3H)-one
Smiles: C=CCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccccc1C(F)(F)F)O
STK577792
Synonyms: 2,3-dihydro-1H-indol-1-yl(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N1CCc2c1cccc2
STK848888
Synonyms: 7-hydrazinyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NN
STK577795
Synonyms: 3-(2-chlorophenyl)-6-hydroxy-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)c1ccccc1Cl)O
STK577797
Synonyms: N-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-beta-alanine
Smiles: OC(=O)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
STK577798
Synonyms: (5Z)-3-butyl-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC(C)C)c2ccccc2)/C1=O
STK577800
Synonyms: 1-amino-2-(dimethylamino)-4-[(3-methoxyphenyl)amino]anthracene-9,10-dione
Smiles: COc1cccc(c1)Nc1cc(N(C)C)c(c2c1C(=O)c1ccccc1C2=O)N
STK848890
Synonyms: 4-(4-fluorophenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1ccccc1O
STK577801
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
Smiles: Brc1cccc(c1)CN(C(=O)c1oc2c(c1C)cc(c(c2)C)C)C1CCS(=O)(=O)C1
STK577805
Synonyms: 2-[7-(3,5-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nnc2n1cnc1c2cnn1c1cc(C)cc(c1)C
STK577808
Synonyms: 3-(1H-indol-3-yl)-N-[3-(1H-tetrazol-1-yl)phenyl]propanamide
Smiles: O=C(Nc1cccc(c1)n1cnnn1)CCc1c[nH]c2c1cccc2
STK577810
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)C)c([nH]n2)c1cc(C)cc(c1O)C
STK848892
Synonyms: N-ethyl-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCC
STK577812
Synonyms: 6-chloro-3-(4-methoxyphenyl)-2-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1nc2c(c3ccc(cc3)OC)c(nn2c(c1Cl)O)C
STK577814
Synonyms: 2-(2,3-dichlorophenyl)-4-[(4-methylphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Cc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1cccc(c1Cl)Cl
STK577815
Synonyms: 2-chloro-5-[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoicacid
Smiles: OC(=O)c1cc(ccc1Cl)n1c(=S)[nH]nc1c1ccncc1
STK577816
Synonyms: 3-(5-fluoro-2-hydroxyphenyl)-4-(2-fluorophenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(F)ccc1O
STK848893
Synonyms: 3-amino-8,9-dimethoxy-1-phenyl-1H-[1,3,5]triazino[1,2-a]quinazolin-6-ol
Smiles: COc1cc2c(cc1OC)c(O)nc1=NC(=NC(n21)c1ccccc1)N
STK577818
Synonyms: N'-(8,10-dimethyl-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-yl)-N,N-dimethylethane-1,2-diamine
Smiles: CCCc1cc(NCCN(C)C)n2c(n1)c1c(C)cc(nc1n2)C
STK577819
Synonyms: 2-(4-fluorophenyl)-1-(3,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)ethanone
Smiles: Fc1ccc(cc1)CC(=O)N1CCC2(CC1)NCCc1c2[nH]cn1
STK577822
Synonyms: 3-[(E)-phenyl(2-phenylhydrazinylidene)methyl]quinoxalin-2-ol
Smiles: Oc1nc2ccccc2nc1/C(=N/Nc1ccccc1)/c1ccccc1
STK577825
Synonyms: 2-[(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
Smiles: O=C(Nc1ccccc1[N+](=O)[O-])CSc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C
STK577830
Synonyms: 6,8-dibromo-N-[3-(dimethylamino)propyl]-2,4-dihydroxyquinoline-3-carboxamide
Smiles: CN(CCCNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br)C
STK577831
Synonyms: 12-(4-methoxyphenyl)-2-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1ccccc1
STK577838
Synonyms: 1-tert-butyl4-(2-oxo-2H-chromen-7-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1)oc(=O)cc2
STK577842
Synonyms: 3-(decyloxy)tetrahydrothiophene1,1-dioxide
Smiles: CCCCCCCCCCOC1CCS(=O)(=O)C1
STK577847
Synonyms: 1-(4-chlorobenzyl)-8-(cyclopentylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)NC1CCCC1
STK577850
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK577853
Synonyms: 3-(4-ethoxyphenyl)-5-[(2E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)/C=C/C(=O)c1c(O)nc(n(c1=O)c1ccc(cc1)OCC)O
STK577860
Synonyms: 8-(butan-2-yl)-4-hydroxy-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: CCC(n1c(C)cn2c1nc1c2c(O)nc(=O)n1C)C
STK577865
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccccc1Cl
STK848897
Synonyms: 7-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1nc2c(c3ccccc3)c(nn2c(c1)n1nc(cc1C)C)C
STK848898
Synonyms: 5-methyl-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(NCCN2CCOCC2)n2c(n1)c(cn2)c1ccc(cc1)C
STK577868
Synonyms: 1-(4-fluorophenyl)-3-[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]guanidine
Smiles: COc1ccc(cc1)c1nc(nc(c1)O)NC(=N)Nc1ccc(cc1)F
STK848901
Synonyms: (6E)-6-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-7-imino-2-methyl-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Smiles: Fc1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N=c2n(C1=N)oc(c2)C
STK577873
Synonyms: 2-(2,4-dimethoxyphenyl)-N-[3-(1H-tetrazol-1-yl)phenyl]acetamide
Smiles: COc1ccc(c(c1)OC)CC(=O)Nc1cccc(c1)n1cnnn1
STK577875
Synonyms: N-(cyclooctylcarbamoyl)-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NC1CCCCCCC1)C
STK577876
Synonyms: tert-butyl(3S)-3-({(2S)-1-[(4-methylbenzyl)amino]-1-oxopropan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)NCc1ccc(cc1)C
STK577877
Synonyms: N-[(3,5-dimethylphenyl)carbamoyl]-L-valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)Nc1cc(C)cc(c1)C
STK577883
Synonyms: 4-[3-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxaline
Smiles: CC(c1cccc(c1)Oc1nc2ccccc2n2c1nnc2)C
STK577884
Synonyms: N-benzyl-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)NCc1ccccc1)O
STK577886
Synonyms: 2-[8-imino-7-(2-methoxyphenyl)-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]-N,N-dimethylethanamine
Smiles: COc1ccccc1C1c2c(ncn(c2=N)CCN(C)C)Oc2c1ccc1c2cccc1
STK848904
Synonyms: 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylphenol
Smiles: Clc1ccc(cc1)c1n[nH]c(c1)c1cc(C)ccc1O
STK577893
Synonyms: tert-butyl[(1S)-1-(6-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc2n1nc(s2)SCC(=O)N(C)C)Cc1ccccc1
STK848905
Synonyms: 4-oxo-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1sc2c(c1C(=O)NCCc1ccccc1)CCC2
STK577896
Synonyms: 3-[(E)-(2-benzylhydrazinylidene)methyl]-2-chloro-6-methylquinoline
Smiles: Cc1ccc2c(c1)cc(c(n2)Cl)/C=N/NCc1ccccc1
STK577898
Synonyms: 1-(4-ethylphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK577900
Synonyms: ethyl[7-hydroxy-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F
STK848906
Synonyms: 6-methyl-4-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
STK848907
Synonyms: 3-(2-methoxyethyl)-1,7-dimethyl-8-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1C)C
STK577906
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N,N-diethylethanamine
Smiles: CCN(CCSc1nc(nc2c1COC(C2)(C)C)c1ccccc1)CC
STK848908
Synonyms: 1-benzyl-2-(piperidin-1-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)N1CCCCC1
STK577914
Synonyms: 6-chloro-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-chromen-2-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1c(C)c(c(c2)C)Cl
STK577920
Synonyms: 4-(3,4-diethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1OCC)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK577926
Synonyms: 2-[4-(4-chlorophenyl)-3-methyl-1,2-oxazol-5-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccccc1F
STK577927
Synonyms: N-[4-(dimethylamino)phenyl]-5-fluoro-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)Nc1ccc(cc1)N(C)C
STK577932
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCc1cccnc1
STK577934
Synonyms: 5-hydroxy-N-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cc(O)cc2)COc1ccc2c(c1C)oc(=O)c1c2CCC1
STK577938
Synonyms: 4-{[(3-methoxyphenyl)ammonio]methyl}-2-oxo-7-phenyl-2H-chromen-6-olate
Smiles: COc1cccc(c1)[NH2+]Cc1cc(=O)oc2c1cc([O-])c(c2)c1ccccc1
STK848914
Synonyms: N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)C12CCC(C2(C)C)(C(=O)C1)C
STK577939
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(CCN2C(=O)c3c(C2c2ccccc2)c([nH]n3)c2cc(Cl)c(cc2O)C)ccc1OC
STK577940
Synonyms: (5Z)-2-[(4-fluorophenyl)amino]-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: Fc1ccc(cc1)NC1=NC(=O)/C(=C/C=C/c2ccco2)/S1
STK577942
Synonyms: 4,5-dichloro-2-methyl-1-(2-phenoxyethyl)-1H-imidazole
Smiles: Clc1nc(n(c1Cl)CCOc1ccccc1)C
STK577944
Synonyms: 8-benzyl-5-(3-methylpiperidin-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: CC1CCCN(C1)c1nc2nnnn2c2c1c1CCN(Cc1s2)Cc1ccccc1
STK577945
Synonyms: 3-(4-chlorophenyl)-11-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: Clc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N=C2C)C1)O
STK577948
Synonyms: 4-hydroxy-2H-pyrido[1,2-a]pyrimidin-2-one
Smiles: O=c1cc(O)n2c(n1)cccc2
STK577956
Synonyms: 3-(2-{(E)-[1-(3-chlorophenyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: Clc1cccc(c1)N1C(=N/C(=C/c2cccn2c2cccc(c2)C(=O)O)/C1=O)O
STK577958
Synonyms: 3-nitro-N-[4-oxo-3-(3,4,5-trimethoxyphenyl)-4H-chromen-2-yl]benzamide
Smiles: COc1cc(cc(c1OC)OC)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])oc2c(c1=O)cccc2
STK577960
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[(3-methylphenyl)sulfonyl]-N-propylacetamide
Smiles: CCCN(S(=O)(=O)c1cccc(c1)C)C(=O)CN1CCc2c(C1)cc(c(c2)OC)OC
STK577961
Synonyms: propan-2-ylN-[(1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]glycinate
Smiles: CC(OC(=O)CNC(=O)c1cc2c(n1C)nc1n(c2=O)cccc1)C
STK848915
Synonyms: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: N#Cc1c(NC(=O)c2nn(ccc2=O)c2cccc(c2)C)sc2c1CCCC2
STK577964
Synonyms: ethyl4-[(5-methoxy-3-methyl-1H-indol-2-yl)carbonyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)c1[nH]c2c(c1C)cc(cc2)OC
STK577966
Synonyms: N-[2-(4-chlorophenyl)ethyl]-2-(5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCSc1n2)NCCc1ccc(cc1)Cl
STK577968
Synonyms: 5-methoxy-3-methyl-N-[3-(morpholin-4-yl)propyl]-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NCCCN1CCOCC1
STK848917
Synonyms: 1-benzyl-7-methyl-2-(pyrrolidin-1-ylcarbonyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)N1CCCC1)Cc1ccccc1
STK577969
Synonyms: 4-bromo-N'-[(E)-(2-hydroxy-7-methoxyquinolin-3-yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)c1ccc(cc1)Br)O
STK577972
Synonyms: 3-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]-9H-thioxanthen-9-one10,10-dioxide
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc2c(c1)S(=O)(=O)c1c(C2=O)cccc1
STK577975
Synonyms: 1-benzyl-9-methyl-N-[2-(morpholin-4-yl)ethyl]-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)NCCN1CCOCC1
STK577977
Synonyms: 2-(4-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
Smiles: O=C(Cc1ccc(cc1)Br)NCCc1nnc2n1cccc2
STK577981
Synonyms: 12-(furan-2-yl)-2-(pyridin-4-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccncc1
STK577984
Synonyms: 1-[2-(3,4-dimethoxybenzyl)-10-(furan-2-yl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: COc1cc(ccc1OC)Cc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C
STK577985
Synonyms: 4-amino-3-(4-methoxyphenyl)-N-(naphthalen-1-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1)n1c(=S)sc(c1N)C(=O)Nc1cccc2c1cccc2
STK577988
Synonyms: 2-methylpropyl(2Z)-2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CC(COC(=O)c1s/c(=N\C(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)/[nH]c1C)C
STK848920
Synonyms: N-[(2E)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=c/1\[nH]nc(s1)SCC(=O)N1CCc2c1cccc2
STK848921
Synonyms: N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-phenylacetamide
Smiles: O=C(Nc1nonc1c1ccc(cc1)C)Cc1ccccc1
STK577993
Synonyms: 2-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol
Smiles: COc1ccc(cc1)c1nc2n(n1)c(O)c1c(n2)CCC1
STK577995
Synonyms: (5Z)-5-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-ylidene]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C\2/NNC(C2)c2ccc(c(c2)OC)OC)/C1=O)O
STK577997
Synonyms: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-[3-(propan-2-yloxy)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1O)C1N(CCCOC(C)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK577998
Synonyms: 4-chloro-5-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]pyridazin-3-ol
Smiles: Clc1c(N/N=C/c2cccnc2)cnnc1O
STK577999
Synonyms: 3-(4-chlorophenyl)-7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl
STK578000
Synonyms: 4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: [O-][N+](=O)c1cc(ccc1Cl)/C=N/n1c(=S)[nH]nc1C1CCCCC1
STK578001
Synonyms: (2R)-{[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetyl]amino}(phenyl)ethanoicacid
Smiles: O=C(Cn1c(=O)[nH]c2c(c1=O)cccc2)N[C@H](c1ccccc1)C(=O)O
STK578003
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-4-amine
Smiles: Cc1nn(c(c1)C)c1nc(NCc2ccco2)cc(n1)c1ccccc1
STK578005
Synonyms: N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)-L-alanine
Smiles: O=C(N[C@H](C(=O)O)C)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C
STK578011
Synonyms: 2-(4-fluorophenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline
Smiles: COc1cc2c(cc1OC)CCn1c2cc(c1)c1ccc(cc1)F
STK848924
Synonyms: 2-amino-5-(2,4-dimethoxyphenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: COc1ccc(c(c1)OC)C1CC(=O)Nc2c1c(O)nc(n2)N
STK578022
Synonyms: 9-(4-methoxyphenyl)-6-(2-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1C
STK578023
Synonyms: 5-(2-hydroxy-4,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
STK848925
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(CCNc2cc(C)nc3n2ncc3c2ccc(cc2)C)ccc1OC
STK578027
Synonyms: (3aR,6aS)-3-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F
STK578032
Synonyms: (6-fluoro-2-methylquinolin-4-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Smiles: Fc1ccc2c(c1)c(cc(n2)C)C(=O)N1CCN(CC1)c1ncccn1
STK848926
Synonyms: 1-(4-ethoxyphenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-3-carboxamide
Smiles: CCOc1ccc(cc1)n1ccc(=O)c(n1)C(=O)Nc1cccc(c1)C(F)(F)F
STK848927
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)NCc1ccc2c(c1)OCO2
STK578040
Synonyms: N-(4-methoxyphenyl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1cc2c(n1C)nc1n(c2=O)cc(cc1)C
STK848928
Synonyms: 8-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1OC)OC)c1ccc(cc1)F
STK578048
Synonyms: 2-chloro-N-[(2Z)-3-(2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: ClCC(=O)/N=C/1\SC2C(N1c1ccccc1OC)CS(=O)(=O)C2
STK578051
Synonyms: 2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-5-[(4-ethenylbenzyl)oxy]phenol
Smiles: C=Cc1ccc(cc1)COc1ccc(c(c1)O)c1n[nH]cc1c1ccc(c(c1)OC)OC
STK578052
Synonyms: (1R,2S)-2-({1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}carbonyl)cyclohexanecarboxylicacid
Smiles: OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2
STK578059
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2n[nH]c(c2)c2cc(Cl)ccc2O)ccc1OC
STK578064
Synonyms: 4-(1,3-benzodioxol-5-yl)-5-hydroxy-2-(methylsulfanyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccc2c(c1)OCO2
STK578067
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2N1CCN(CC1)CC(=C)C
STK578069
Synonyms: (5E)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(o2)c2cccc(c2)Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK578070
Synonyms: 4-chloro-N-[(2-hydroxyquinolin-4-yl)methyl]-N-(3-methylphenyl)benzamide
Smiles: Cc1cccc(c1)N(C(=O)c1ccc(cc1)Cl)Cc1cc(O)nc2c1cccc2
STK578075
Synonyms: N-[(4-sulfamoylphenyl)carbamoyl]-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N
STK578077
Synonyms: 3-[(6-bromoquinolin-8-yl)amino]-2-benzofuran-1(3H)-one
Smiles: Brc1cc(NC2OC(=O)c3c2cccc3)c2c(c1)cccn2
STK578078
Synonyms: methylN-(cyclopropylcarbamoyl)-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CC1
STK848940
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CC1SC(=O)NC1=O
STK578092
Synonyms: N~2~-{[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbonyl}-N-(tetrahydrofuran-2-ylmethyl)-L-valinamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NCC1CCCO1)C(C)C
STK578099
Synonyms: 5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol
Smiles: COCCn1c(S)nnc1c1ccccc1Cl
STK578101
Synonyms: (4Z)-4-[(3-methylphenyl)imino]-6-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CN1CCN(CC1)Cc1nc(N)n/c(=N\c2cccc(c2)C)/[nH]1
STK578102
Synonyms: 2-cyclopropyl-1-[2-(2-methoxyphenoxy)ethyl]-1H-benzimidazole
Smiles: COc1ccccc1OCCn1c(nc2c1cccc2)C1CC1
STK848942
Synonyms: 4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)Cl)c([nH]n2)c1ccccc1O
STK578108
Synonyms: 7-(4-chlorophenyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thione
Smiles: Clc1ccc(cc1)n1ncc2c1ncn1c2n[nH]c1=S
STK578110
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O
STK578112
Synonyms: N-(4-fluorophenyl)-4,5,6-trimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)Nc1ccc(cc1)F
STK578114
Synonyms: 8-(4-chlorophenyl)-10-methyl-11-phenyl-2-(pyridin-2-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)n1nc(c2c1Oc1ncn3c(c1C2c1ccccc1)nc(n3)c1ccccn1)C
STK578115
Synonyms: N-({5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl}methyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Smiles: CCC1CCCCN1Cc1ccc(o1)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
STK578117
Synonyms: (5E)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-sulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCCN1CCNCC1)c1cccc(c1)C(F)(F)F
STK578118
Synonyms: N-(3-bromobenzyl)-3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methoxybenzamide
Smiles: COc1ccc(cc1Cl)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK578119
Synonyms: methylN-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-methioninate
Smiles: COC(=O)[C@@H](NC(=O)NCCc1ccc(cc1)F)CCSC
STK578121
Synonyms: 4-[(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
Smiles: [O-][N+](=O)c1cccc(c1)c1ccc(o1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1
STK848943
Synonyms: N-(3-chlorophenyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1cccc(c1)Cl
STK848947
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nc2c(cnn2c(c1C)NCCCn1cncc1)c1ccccc1
STK578127
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2,3-dimethylphenyl)-5-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1C)C
STK578131
Synonyms: 2-methyl-9-(4-methylpiperazin-1-yl)-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
Smiles: CN1CCN(CC1)c1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK578134
Synonyms: 4-[(3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzamide
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)C(=O)N)Cc1ccc(cc1)O)C(=O)N2
STK578136
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1
STK578138
Synonyms: (5E)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-hydroxy-1,3-thiazole-2(5H)-thione
Smiles: Clc1ccc(cc1)c1nn(cc1/C=C\1/SC(=S)N=C1O)c1ccccc1
STK578144
Synonyms: 9-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
Smiles: Cc1ccc(c(c1)C)CN1CCN(CC1)c1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK578145
Synonyms: (5Z)-3-(3-chloro-4-fluorophenyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\C=C\c2ccco2)/C(=O)N1c1ccc(c(c1)Cl)F
STK578147
Synonyms: (4E)-N-(furan-2-ylmethyl)-4-(hydroxyimino)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O/N=C/1\CC(C)(C)Cc2c1c(C)c(o2)C(=O)NCc1ccco1
STK578149
Synonyms: (5E)-1-(2-fluorophenyl)-5-[(morpholin-4-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NN1CCOCC1)c1ccccc1F
STK578150
Synonyms: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C
STK578151
Synonyms: 5-(2-hydroxy-4,5-dimethylphenyl)-N-(4-methylbenzyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C
STK578152
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C
STK578154
Synonyms: 6,7-dimethyl-4-oxo-N-(pyridin-3-yl)-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)C)C)Nc1cccnc1
STK578155
Synonyms: 4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCOc1cc(ccc1O)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK578156
Synonyms: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl(morpholin-4-yl)methanone
Smiles: O=C(N1CCOCC1)N1CCC2(CC1)OCCO2
STK578159
Synonyms: N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)NCCc1nnc2n1cccc2
STK578162
Synonyms: N,N-diethyl-N'-(8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)propane-1,3-diamine
Smiles: CCN(CCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C)CC
STK578163
Synonyms: N-[benzyl(methyl)carbamoyl]-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)N(Cc1ccccc1)C)C
STK848952
Synonyms: 3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NCCCn1cncc1
STK578166
Synonyms: 6-chloro-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine
Smiles: CCOc1ccc(cc1)Nc1cc(C)nc2c1cc(Cl)cc2
STK848953
Synonyms: 8-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)ccc1OC)c1ccc(cc1)F
STK848954
Synonyms: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCN1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)c1ccccc1O
STK848955
Synonyms: 4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1ccccc1O
STK578168
Synonyms: N-[3-({[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}amino)-3-oxopropyl]benzamide
Smiles: O=C(NCc1nnc2n1cc(Cl)cc2C(F)(F)F)CCNC(=O)c1ccccc1
STK578169
Synonyms: 6-benzyl-2-(benzylamino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1Cc1ccccc1)O)NCc1ccccc1
STK578170
Synonyms: methyl4-(6,7-dimethyl-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1NC(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C
STK578173
Synonyms:
Smiles: CCC([C@@H](C(=O)NCc1ccco1)NC(=O)[C@H]1NCc2c(C1)cccc2)C
STK578174
Synonyms: N-(3-chloro-4-methylphenyl)-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1ccc(c(c1)Cl)C
STK578181
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[4-(difluoromethoxy)phenyl]-1H-pyrazole-3-carboxamide
Smiles: FC(Oc1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O)F
STK578184
Synonyms: 2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: COCc1cc(C)nc(c1C#N)SCC(=O)/N=c/1\[nH]nc(s1)C(F)(F)F
STK578185
Synonyms: 2-ethyl-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCc1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2
STK848956
Synonyms: N-(4-fluorophenyl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Fc1ccc(cc1)Nc1c2CCCCc2nc2n1nc(c2c1ccccc1)C
STK578188
Synonyms: 2,3-dihydro-6H-[1,4]dioxino[2,3-f]indole-7,8-dione
Smiles: O=C1C(=O)Nc2c1cc1OCCOc1c2
STK578190
Synonyms: 11-(furan-2-yl)-10-methyl-2-[(4-methylphenoxy)methyl]-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1
STK578193
Synonyms: 3-(4-chlorophenyl)-5-methyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1cc(C)nc2n1ncc2c1ccc(cc1)Cl
STK848958
Synonyms: 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1c(O)ccc2c1cccc2
STK578195
Synonyms: 1-(4-chlorophenyl)-6-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)Cl)S
STK578201
Synonyms: 5-(2,6-dimethylmorpholin-4-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CC(C)OC(C1)C)/C=C/c1ccccc1
STK848960
Synonyms: 3-(2-ethoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-ylfuran-2-carboxylate
Smiles: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OC(=O)c1ccco1
STK848961
Synonyms: 3-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(NCc2ccccn2)n2c(n1)c(cn2)c1ccccc1Cl
STK578212
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(4-phenylbutan-2-yl)propanamide
Smiles: CC(NC(=O)CCC1COc2c(O1)cccc2)CCc1ccccc1
STK578214
Synonyms: 4-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl}amino)butanoicacid
Smiles: OC(=O)CCCNC(=O)[C@H](C(C)C)NC(=O)c1cc2c(n1C)ccc(c2)Cl
STK578217
Synonyms: N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]methanesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)C)c1ccc(cc1C)C
STK578221
Synonyms: 6-chloro-5,7-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)c2ccccc2)c2c(o1)cc(c(c2C)Cl)C
STK578222
Synonyms: methyl2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-4,5-dimethylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC2OC(=O)c3c2ccc(c3OC)OC)sc(c1C)C
STK848963
Synonyms: 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(CCNc2cc(C)nc3n2ncc3c2ccccc2Cl)ccc1OC
STK578226
Synonyms: 5-{2-amino-3-[(2-methoxyethyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}-2-hydroxybenzoicacid
Smiles: COCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)C(=O)O)O
STK578227
Synonyms: 4-bromo-N-[(3Z)-6-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)Br)/c2c1nc1ccc(cc1c2)C
STK578236
Synonyms: N-(3-bromobenzyl)-2-(2,6-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1c(C)cccc1C
STK578237
Synonyms: 4-amino-3-(4-methoxyphenyl)-N-(naphthalen-2-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1)n1c(=S)sc(c1N)C(=O)Nc1ccc2c(c1)cccc2
STK578240
Synonyms: 4-(4-bromophenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)Br)c([nH]n2)c1cc(C)cc(c1O)C
STK578241
Synonyms: 5-(2-hydroxyphenyl)-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccccc1O
STK848970
Synonyms: 3-(4-chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1c(C)nc2n(c1O)ncc2c1ccc(cc1)Cl
STK578248
Synonyms: 5-(2-hydroxy-3,4-dimethylphenyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
STK578249
Synonyms: 9-methyl-2-(thiophen-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1cccs1
STK848974
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2N1CCOCC1
STK578252
Synonyms: 2'-hydroxy-1'-(2-phenylethyl)-1,2,3,4,5,5a-hexahydro-4'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-4',6',8(1'H)-trione
Smiles: OC1=NC(=O)C2(C(=O)N1CCc1ccccc1)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2
STK578255
Synonyms: 3-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
Smiles: O=C(CCc1nc2c([nH]1)cccc2)NCc1cccnc1
STK578257
Synonyms: 4-methoxy-N-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nn1cc2c(c1c1ccc(cc1)OC)c(=O)n(c(=O)n2C)C
STK578258
Synonyms: (2Z)-6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: Brc1ccc(cc1)C(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O
STK578263
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1)O
STK848975
Synonyms: 4-(4-chlorophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1ccccc1O
STK578264
Synonyms: 5-(4-chlorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccc(cc1)Cl
STK578265
Synonyms: 2-(furan-2-yl)-12-(4-methoxyphenyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1ccco1
STK578268
Synonyms: 7-[(4-chlorobenzyl)oxy]-3-(3,4-dimethoxyphenyl)-2-methyl-4H-chromen-4-one
Smiles: COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2)OCc1ccc(cc1)Cl
STK578272
Synonyms: diethyl5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)sc(c1C)C(=O)OCC
STK848979
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(CNc1cc(C)nc2n1nc(c2c1ccc(cc1)C)C)C
STK578274
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(C)nc(nc1c1ccc(cc1O)OCc1c(F)cccc1Cl)N
STK578276
Synonyms: N-(4-fluorophenyl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Fc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C
STK578277
Synonyms: N-(1-benzylpiperidin-4-yl)-5-fluoro-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)NC1CCN(CC1)Cc1ccccc1
STK578281
Synonyms: 5-tert-butyl-N-(2,4-dichlorobenzyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(c(c1)Cl)CNc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK848982
Synonyms: 7-chloro-1-(2-fluorophenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1F)C
STK578285
Synonyms: 3-(3-tert-butyl-7-hydroxy-1-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-bis(2-hydroxyethyl)benzenesulfonamide
Smiles: OCCN(S(=O)(=O)c1ccc(c(c1)c1nc(O)c2c(n1)c(nn2C)C(C)(C)C)OCC)CCO
STK578287
Synonyms: 6-chloro-N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)N(C)C)c1cc(=O)c2c(o1)cc(c(c2)Cl)C
STK578289
Synonyms: 3,4,5-trimethoxy-N-(2-methoxyethyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1cc(OC)c(c(c1)OC)OC)Cc1cc2cc(C)ccc2[nH]c1=O
STK578291
Synonyms: N-(1H-benzimidazol-2-yl)-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: O=C(Nc1nc2c([nH]1)cccc2)CCn1cnc2c(c1=O)cccc2
STK578305
Synonyms: 4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-6,8-dimethyl-2H-chromen-2-one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2C
STK848984
Synonyms: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2N1CCCCC1
STK578309
Synonyms: 3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
Smiles: OCC(Cc1ccccc1)NC(=O)CCN1C(=S)S/C(=C\c2ccccc2)/C1=O
STK578310
Synonyms: 12-methyl-2,3,4,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1-ol
Smiles: OC1=C2C(=Nc3n(C2C)c2ccccc2n3)CCC1
STK578311
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)O
STK848986
Synonyms: methyl2-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Smiles: COC(=O)c1ccccc1N/C=C/1\C(=NN(C1=O)c1ccccc1)C
STK578326
Synonyms: 3-{[(3,4-dimethoxyphenyl)sulfonyl]amino}-5-methoxy-1H-indole-2-carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1ccc(c(c1)OC)OC)c([nH]2)C(=O)O
STK848988
Synonyms: (6E)-7-imino-2-methyl-6-[(4-oxo-4H-chromen-3-yl)methylidene]-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Smiles: Cc1on2c(=NC(=O)/C(=C/c3coc4c(c3=O)cccc4)/C2=N)c1
STK578330
Synonyms: N-[(2E)-5-[(4-chlorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: CC(C(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)Cl)C
STK848989
Synonyms: 3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-propyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1ccccc1O
STK578338
Synonyms: 4-[(4Z)-4-(3,4-dimethoxybenzylidene)-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl]benzoicacid
Smiles: COc1ccc(cc1OC)/C=C/1\N=C(N(C1=O)c1ccc(cc1)C(=O)O)c1ccccc1
STK578342
Synonyms: 5-({3-[(5E)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)C(=O)O)O)CCN1C(=S)S/C(=C/c2ccc(cc2)F)/C1=O
STK848990
Synonyms: N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: COc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)cc(cc3)C)/[nH]2
STK578344
Synonyms: 6-fluoro-N-(4-iodophenyl)-2-methylquinoline-4-carboxamide
Smiles: Ic1ccc(cc1)NC(=O)c1cc(C)nc2c1cc(F)cc2
STK848993
Synonyms: 5-tert-butyl-N-cyclopentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NC2CCCC2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK578345
Synonyms: 2,4-dichloro-N-[(1Z)-1-{1-cyano-2-[(3-methylbutyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1Cl)Cl)/C(=O)NCCC(C)C
STK848994
Synonyms: propyl4-[(7-ethoxy-4-oxo-4H-chromen-3-yl)oxy]benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCC
STK578350
Synonyms: 2-{[4-(2-fluorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Smiles: S=c1[nH]nc(n1c1ccccc1F)Cn1ncc2c(c1=O)cccc2
STK578352
Synonyms: N-(3-chloro-4-methylphenyl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)Cl)C)O
STK848997
Synonyms: 1-(3-methoxypropyl)-N,N,9-trimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N(C)C
STK578354
Synonyms: 4-[4-(2-fluorophenyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1n2C)N1CCN(CC1)c1ccccc1F
STK578356
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
Smiles: COc1cc2/C(=C/C(=O)c3sc(nc3C)c3ccc(cc3)CC)/NCCc2cc1OC
STK578367
Synonyms: 1-(4-methoxyphenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1
STK848999
Synonyms: 5-[(2-methylprop-2-en-1-yl)oxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1ncnc(c1c1ccccc1)C(F)(F)F
STK578371
Synonyms: 5-{[(E)-(2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl]amino}-2-hydroxybenzoicacid
Smiles: O=C1Oc2ccccc2C(=O)/C/1=C\Nc1ccc(c(c1)C(=O)O)O
STK578375
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
Smiles: COc1ccc(cc1NC(=O)CCC1COc2c(O1)cccc2)[N+](=O)[O-]
STK578377
Synonyms: N-[(9-oxo-9H-fluoren-4-yl)carbonyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)c1cccc2c1c1ccccc1C2=O
STK849001
Synonyms: 3-methoxy-N-[(2E)-6-(morpholin-4-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide
Smiles: COc1cccc(c1)C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1
STK578389
Synonyms: N-(3,4-dimethoxybenzyl)-5-fluoro-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide
Smiles: COc1cc(ccc1OC)CN(C(=O)c1cc2c([nH]1)ccc(c2)F)CCN1CCOCC1
STK578390
Synonyms: 5-oxo-3-phenoxy-5H-anthra[1,9-cd][1,2]oxazol-6-yl3-fluorobenzoate
Smiles: Fc1cccc(c1)C(=O)Oc1c2C(=O)C=C(c3c2c(c2c1cccc2)on3)Oc1ccccc1
STK849002
Synonyms: 4-oxo-N-[(2E)-5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide
Smiles: C=CCSc1n[nH]/c(=N\C(=O)c2cc(=O)c3c(o2)cccc3)/s1
STK578394
Synonyms: 3-cyclopentyl-2-ethyl-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCc1nc2c(c(=O)n1C1CCCC1)c(=O)c1c(n2C)cccc1
STK849004
Synonyms: 3-(4-chlorophenyl)-2-methyl-5-phenylpyrazine1,4-dioxide
Smiles: Clc1ccc(cc1)c1c(C)[n+]([O-])cc([n+]1[O-])c1ccccc1
STK849005
Synonyms: 3-(2-methoxyphenyl)-5-methyl-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2N1CCN(CC1)c1ccccc1
STK849006
Synonyms: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)ncc1c1ccc(cc1)Cl
STK578396
Synonyms: (1E,2E)-1-{2-(4-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: Oc1ccc(cc1)C1/C(=C(/C=C/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
STK578400
Synonyms: 2-(2-amino-5-phenylpyrimidin-4-yl)-5-[(2,5-dimethylbenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1cc(C)ccc1C)c1ccccc1
STK578407
Synonyms: tert-butyl[(2S)-1-{(2E)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl}-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate(non-preferredname)
Smiles: CSCC[C@@H](C(=O)N/N=C/c1ccc2c(n1)ccc(c2)OC)NC(=O)OC(C)(C)C
STK578408
Synonyms: [2-methyl-1,1-dioxido-4-(prop-2-en-1-yloxy)-2H-1,2-benzothiazin-3-yl](morpholin-4-yl)methanone
Smiles: C=CCOC1=C(C(=O)N2CCOCC2)N(C)S(=O)(=O)c2c1cccc2
STK578410
Synonyms: (5Z)-2,6-dihydroxy-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/C(=N1)O
STK578415
Synonyms: 1-{1-[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: CC(=O)c1cnn(c1C)c1cc(NC2CCCC2)nc(n1)c1ccccc1
STK849010
Synonyms: 5-(quinolin-2-yl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1cccc(c1)C(F)(F)F)c1ccc2c(n1)cccc2
STK578420
Synonyms: 3-[8,9-diphenyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-N,N-dimethylpropan-1-amine
Smiles: CN(CCCn1c(c2ccccc2)c(c2c1ncn1c2nc(n1)c1ccncc1)c1ccccc1)C
STK578424
Synonyms: 2-(furan-2-yl)-9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccco1
STK578425
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1C)O
STK578428
Synonyms: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrimidin-4-ol
Smiles: COc1cccc(c1)N1CCN(CC1)c1nc(O)cc(n1)c1ccccc1C
STK849011
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NCc1ccccn1
STK849012
Synonyms: N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)C(C)C
STK849013
Synonyms: N-{4-[(2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-yl)amino]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK578439
Synonyms: 2-({7-[3-(dimethylamino)propyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1ncnc2c1c(C)c(n2CCCN(C)C)C
STK849015
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-2-phenoxy-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: O=C(N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1)COc1ccccc1
STK849016
Synonyms: 2-[(3-bromobenzyl)amino]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol
Smiles: Brc1cccc(c1)CNc1nc2n(n1)c(O)c1c(n2)CCC1
STK578447
Synonyms: N-[(2E)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: COc1cccc(c1)N1/C(=N\C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2
STK578448
Synonyms: 7-chloro-1-(3-ethoxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK578449
Synonyms: 4-{[(2Z)-5,5-dioxido-3-(prop-2-en-1-yl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: C=CCN1/C(=N/C(=O)CCC(=O)O)/SC2C1CS(=O)(=O)C2
STK849017
Synonyms: ethyl2-methyl-4-(pyridin-3-yl)-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccnc1)c1ccccc1[nH]2
STK578454
Synonyms: 8-(furan-2-ylmethyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1c(n2)n(c(c1C)C)Cc1ccco1)C
STK578455
Synonyms: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)[3-(trifluoromethyl)phenyl]methanone
Smiles: COc1cc2CCN(C(c2cc1OC)C)C(=O)c1cccc(c1)C(F)(F)F
STK578456
Synonyms: 8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(3-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1cccc(c1)OC
STK578457
Synonyms: 2-[(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCc1ccncc1
STK578462
Synonyms: methyl3-{[(2,4-dimethylphenyl)sulfonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(cc1C)C)cccc2
STK578463
Synonyms: (5E)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-methylbenzylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Cc1ccc(cc1)/C=C\1/SC(N=C1O)N1CCc2c(C1)cccc2
STK849021
Synonyms: ethyl5-[(dimethylcarbamoyl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)N(C)C)c1ccccc1
STK578468
Synonyms: N-[4-(1H-indol-3-yl)butanoyl]alanine
Smiles: O=C(NC(C(=O)O)C)CCCc1c[nH]c2c1cccc2
STK849022
Synonyms: 3-amino-1-(4-chlorophenyl)-1H-[1,3,5]triazino[1,2-a]quinazolin-6-ol
Smiles: Clc1ccc(cc1)C1N=C(N)N=c2n1c1ccccc1c(n2)O
STK849023
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCCCN2CCOCC2)n2c(n1)c(cn2)c1ccc(cc1)Cl)(C)C
STK578471
Synonyms: (2E)-2-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide
Smiles: Cc1nnc(s1)NC(=O)/C=C\1/SC(=O)N=C1O
STK578479
Synonyms: {[(2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)Br)/C2=O
STK578480
Synonyms: 4-methyl-N'-[(E)-(2-methyl-2H-chromen-3-yl)methylidene]benzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/C1=Cc2ccccc2OC1C
STK849025
Synonyms: 3-phenyl-5-propyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(NCc2ccccn2)n2c(n1)c(cn2)c1ccccc1
STK578482
Synonyms: (2S)-2-amino-4-methyl-N'-[(E)-quinolin-6-ylmethylidene]pentanehydrazide(non-preferredname)
Smiles: CC(C[C@@H](C(=O)N/N=C/c1ccc2c(c1)cccn2)N)C
STK578485
Synonyms: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2cccs2)/C1=O)NCCc1c[nH]c2c1cc(F)cc2
STK578486
Synonyms: 3-{[bis(2-methylpropyl)ammonio]methyl}-2,6-dimethylquinolin-4-olate
Smiles: CC(C[NH+](Cc1c(C)nc2c(c1[O-])cc(cc2)C)CC(C)C)C
STK578489
Synonyms: (4Z)-4-[(2,4-dimethylphenyl)imino]-6-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CN1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2C)C)/[nH]1
STK578493
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N-(4-methoxyphenyl)-2-methylpropanamide
Smiles: COc1ccc(cc1)N(C(=O)C(C)C)Cc1cc(O)nc2c1cccc2
STK849026
Synonyms: 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one
Smiles: O=C1OC(c2c1cccc2)Nc1cccc(c1)C(F)(F)F
STK578496
Synonyms: (5Z)-3-cyclohexyl-6-hydroxy-5-{1-[(tetrahydrofuran-2-ylmethyl)amino]ethylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(/NCC2CCCO2)\C)/C(=O)N1C1CCCCC1
STK578498
Synonyms: methyl2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC2OC(=O)c3c2ccc(c3OC)OC)sc2c1CCC2
STK849029
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(CCNc2cc(C)nc3n2nc(c3c2ccccc2)C(F)(F)F)ccc1OC
STK578508
Synonyms: 2-(3,4-dimethoxybenzyl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: COc1cc(ccc1OC)CN1Cc2c(C1=N)cccc2
STK578509
Synonyms: (3R)-N-{(2S)-1-[(4-fluorobenzyl)amino]-3-methyl-1-oxobutan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
STK578510
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methylbenzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccccc1C)C1CCS(=O)(=O)C1
STK578511
Synonyms: 3-bromo-N-[1-(1-ethyl-1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
Smiles: CCn1c(nc2c1cccc2)n1nc(cc1NC(=O)c1cccc(c1)Br)C
STK849033
Synonyms: 3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl2,2-dimethylpropanoate
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2)OC(=O)C(C)(C)C
STK578513
Synonyms: 4-imino-9,10-dimethoxy-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC
STK578516
Synonyms: {1-[2-(4-fluorophenoxy)ethyl]-1H-benzimidazol-2-yl}(phenyl)methanol
Smiles: Fc1ccc(cc1)OCCn1c(nc2c1cccc2)C(c1ccccc1)O
STK578519
Synonyms: N-tert-butyl-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)NC(C)(C)C
STK578522
Synonyms: N-[3-(4-chlorophenyl)-4-oxo-4H-chromen-2-yl]thiophene-2-carboxamide
Smiles: Clc1ccc(cc1)c1c(NC(=O)c2cccs2)oc2c(c1=O)cccc2
STK578528
Synonyms: 7-[(3,4-dichlorobenzyl)oxy]-3-(2-methoxyphenyl)-4H-chromen-4-one
Smiles: COc1ccccc1c1coc2c(c1=O)ccc(c2)OCc1ccc(c(c1)Cl)Cl
STK578529
Synonyms: 7-benzyl-6-hydroxy-8-[(2-hydroxypropyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CC(CNc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C)O
STK849035
Synonyms: 5-(furan-2-yl)-2-methyl-7-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1nn2c(=NC(=CC2c2ccccc2)c2ccco2)[nH]1
STK578531
Synonyms: 6-hydroxy-3-methyl-8-(3-methylpiperidin-1-yl)-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: CC1CCCN(C1)c1nc2c(n1CCSc1nnc(s1)C)c(O)nc(=O)n2C
STK578533
Synonyms: 6-hydroxy-7-(2-hydroxy-2-phenylethyl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(c1ccccc1)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1
STK578536
Synonyms: 4-{(2E)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1c(C)nn(c1C)c1ccccc1
STK578537
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccc(cc1)C=C
STK578540
Synonyms: 6-chloro-4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-methyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)cc(c(c2)Cl)C
STK578542
Synonyms: 7-benzyl-8-chloro-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(Cc1ccccc1)c(n2)Cl)C
STK849036
Synonyms: N-{2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-4-oxo-4H-chromene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1oc2c(c1NC(=O)c1cc(=O)c3c(o1)cccc3)cccc2
STK578547
Synonyms: N,N-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonamide
Smiles: CN(S(=O)(=O)N1CCC2(CC1)OCCO2)C
STK849037
Synonyms: N,1-bis(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCNC(=O)c1cc2c(n1CCCOC)nc1n(c2=O)cccc1
STK849038
Synonyms: 4-fluoro-N-[5-hydroxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)C(F)(F)F
STK578555
Synonyms: 1-(3-methoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK578564
Synonyms: 2-(2-methoxyethyl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)cccc1
STK849039
Synonyms: 2-(1,3-benzothiazol-2-yl)-4-hydroxy-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1cc(O)c2c(n1)[nH]n(c2=O)c1nc2c(s1)cccc2
STK578565
Synonyms: methylN-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(c(c1)Cl)OC)CC(C)C
STK578573
Synonyms: N-[2-(1-methyl-5-nitro-1H-benzimidazol-2-yl)ethyl]-2-[2-methyl-5-(propan-2-yl)phenoxy]acetamide
Smiles: O=C(COc1cc(ccc1C)C(C)C)NCCc1nc2c(n1C)ccc(c2)[N+](=O)[O-]
STK578574
Synonyms: 2-{4-(4-chlorophenyl)-5-[(naphthalen-1-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Clc1ccc(cc1)n1c(SCc2cccc3c2cccc3)nnc1c1ccccn1
STK578577
Synonyms: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1n2C)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK578579
Synonyms: 2-[(7-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetamide
Smiles: NC(=O)COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)Cl
STK849041
Synonyms: 2-[2-amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-[(2-fluorobenzyl)oxy]phenol
Smiles: COc1cccc(c1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccccc1F)N
STK578588
Synonyms: 4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-6-methyl-2H-chromen-2-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2
STK578590
Synonyms: methylN-[(2-methylcyclohexyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NC1CCCCC1C
STK578591
Synonyms: (5Z)-6-hydroxy-3-(3-methoxypropyl)-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C/2\CC(Sc3c(N2)cccc3)c2ccccc2)/C1=O)O
STK578593
Synonyms: ethyl(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)acetate
Smiles: CCOC(=O)Cn1cc(C)c(nc1=O)O
STK578595
Synonyms: (2E)-N-[(2Z)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methylphenyl)prop-2-enamide
Smiles: Cc1ccc(cc1)/C=C/C(=O)/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F
STK578596
Synonyms: (4Z)-2-(2-bromophenyl)-4-(furan-2-ylmethylidene)-4H-imidazol-5-ol
Smiles: OC1=NC(=N/C/1=C\c1ccco1)c1ccccc1Br
STK578599
Synonyms: 12-(furan-2-yl)-2-(4-methoxyphenyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CCCC2=O
STK849044
Synonyms: N-(4-ethoxyphenyl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: CCOc1ccc(cc1)Nc1cc(C)nc2n1nc1c2c(C)cc(n1)C
STK578603
Synonyms: 5-({[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2F)/C1=O)Nc1ccc(c(c1)C(=O)O)O
STK578605
Synonyms: 2-(1,3-benzothiazol-2-yl)-4-hydroxy-6-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: CCCc1cc(O)c2c(n1)[nH]n(c2=O)c1nc2c(s1)cccc2
STK849045
Synonyms: 5-tert-butyl-3-phenyl-7-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCCCC2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK578609
Synonyms: 4-(2-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1cc(C)nc(n1)n1[nH]c(c(c1=O)Cc1ccccc1Cl)C
STK578615
Synonyms: {(5S)-5-(benzylcarbamoyl)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: COc1cc(ccc1OC(C)C)C1=NO[C@@](C1)(CC(=O)O)C(=O)NCc1ccccc1
STK849047
Synonyms: N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)NCc1cccnc1
STK578619
Synonyms: 2,2,5-trimethyl-8-(piperazin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCNCC1
STK849048
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-(5-phenylpyrimidin-4-yl)phenol
Smiles: Oc1cc(ccc1c1ncncc1c1ccccc1)OCc1ccccc1F
STK578629
Synonyms: N-(3-methoxypropyl)-1-phenyl-N-(pyridin-2-ylmethyl)methanesulfonamide
Smiles: COCCCN(S(=O)(=O)Cc1ccccc1)Cc1ccccn1
STK578632
Synonyms: 6-hydroxy-7-(2-hydroxy-2-phenylethyl)-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(c1ccccc1)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCNCC1
STK578636
Synonyms: 7-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(c2cccc(c2Cl)Cl)n2c(=N1)[nH]nn2
STK578638
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)O
STK578639
Synonyms: 2-{methyl[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)C
STK578640
Synonyms: (3S,3a'R,8a'S,8b'S)-7-ethyl-2'-[2-(trifluoromethyl)phenyl]-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F
STK578641
Synonyms: 2,6-diamino-4-(2,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1cc(OC)c(cc1OC)OC)C#N)N
STK578642
Synonyms: N-[(4-methylbenzyl)carbamoyl]alanine
Smiles: CC(C(=O)O)NC(=O)NCc1ccc(cc1)C
STK578643
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-{2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl}-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)cccc2
STK578644
Synonyms: 3-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
Smiles: OCCCNc1nc(nc2c1oc1c2cccc1)c1ccccc1
STK578650
Synonyms: 5-(2-hydroxyphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2ccccc2O)sc2c1CCCC2
STK578651
Synonyms: 2-(4-ethylphenoxy)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Oc2ccc(cc2)CC)nc1=O
STK578654
Synonyms: N-[3-(2-fluorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1n(C)c2ccccc2c(=O)c1c1ccccc1F
STK578655
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)c1cccc2c1C(=O)N(C2)c1ccccc1)C
STK578656
Synonyms: 5-[(4-bromobenzyl)oxy]-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: Brc1ccc(cc1)COc1ccc(c(c1)O)c1onc(c1c1ccccc1)C
STK578658
Synonyms: 4-(5-{(E)-[2-hydroxy-1-(4-methylbenzyl)-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: Cc1ccc(cc1)CN1C(=N/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)O)/C1=O)O
STK578661
Synonyms: 9-benzyl-2-phenyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccccc1
STK578663
Synonyms: N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C
STK849052
Synonyms: (4E)-1-(2-hydroxyethyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\C=C\c2ccccc2)/O)/C1c1ccc(cc1)OC
STK849053
Synonyms: 8-(2,5-dimethoxyphenyl)-6-oxo-3-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(c(c1)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccccc1)OC
STK578670
Synonyms: N-(cyclooctylcarbamoyl)-D-methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)NC1CCCCCCC1
STK578673
Synonyms: 12-(pyridin-3-yl)-2-(thiophen-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)c1cccs1
STK578678
Synonyms: 2-(morpholin-4-ium-4-yl)-5-{[4-(propan-2-yl)benzyl]amino}benzoate
Smiles: [O-]C(=O)c1cc(NCc2ccc(cc2)C(C)C)ccc1[NH+]1CCOCC1
STK578680
Synonyms: 9-(3-chlorophenyl)-4-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: Clc1cccc(c1)N1CCCn2c1nc1c2c(O)nc(=O)n1C
STK578685
Synonyms: ({6-cyano-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)aceticacid
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccc(cc1)C)c(SCC(=O)O)nn2
STK578691
Synonyms: 4-(2-chloro-5-nitrophenyl)-2-[(2,3-dichlorophenyl)amino]-8-methyl-4,9-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Smiles: Cc1[nH]c2=NC(=NC(n2c(=O)c1)c1cc(ccc1Cl)[N+](=O)[O-])Nc1cccc(c1Cl)Cl
STK849057
Synonyms: 5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1ccccc1O
STK578696
Synonyms: 8-amino-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione
Smiles: OC(CN1C(=NC2C1C(=O)N(C)C(=O)N2C)N)COc1cccc(c1)C
STK578701
Synonyms: 6-hydroxy-3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(O)nc2c(c1c1cc(OC)c(c(c1)OC)OC)c(C)nn2c1ccccc1
STK849062
Synonyms: 4-(2,3-dimethoxyphenyl)-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Smiles: COc1c(OC)cccc1C1N=C(N)N=c2n1c1ccccc1[nH]2
STK578706
Synonyms: 2-amino-5-hydroxy-7-methyl-4-[4-(methylsulfanyl)phenyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)SC)c(O)nc(c2)C
STK578709
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]furan-2-carboxamide
Smiles: Oc1cc(NC(=O)c2ccco2)n2c(n1)nc(n2)CCc1ccccc1
STK578711
Synonyms: 2-(2-chlorophenoxy)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
Smiles: O=C(Nc1onc(c1)c1ccc(cc1)C)COc1ccccc1Cl
STK578712
Synonyms: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6-chloro-2H-chromen-2-one
Smiles: Clc1ccc2c(c1)c(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(=O)o2
STK849063
Synonyms: ethyl4-({7-[(2-methylpropanoyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)C(C)C
STK849064
Synonyms: ethyl4-{[5-(2,4-dihydroxyphenyl)-3-methyl-1H-pyrazol-4-yl]oxy}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)O
STK578721
Synonyms: 7-(3-bromobenzyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1
STK849065
Synonyms: 2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-cyclopentylacetamide
Smiles: O=C(Cc1coc2c1cc(Cl)c(c2)C)NC1CCCC1
STK849066
Synonyms: 2-methyl-3-phenyl-5-(propan-2-yl)-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(Nc2ccncc2)n2c(n1)c(c1ccccc1)c(n2)C)C
STK849068
Synonyms: 5-propyl-2-[(thiophen-2-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)NCc1cccs1
STK578727
Synonyms: N'-[5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1c(C)c(n2c1cccnc1)C)C
STK578733
Synonyms: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/c2ccc3c(c2)OCO3)/C(=O)N1C1CCCCC1
STK578734
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1cccc(c1)Cl
STK849070
Synonyms: 2-[(2-ethylpiperidin-1-yl)carbonyl]-1-(3-methoxypropyl)-9-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCCCC1CC
STK578739
Synonyms: 2-[(2,4-dichlorobenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: Clc1ccc(c(c1)Cl)CNc1[nH]c2n(n1)c(=O)c1c(n2)CCC1
STK578740
Synonyms: (3E)-3-{2-oxo-2-[2-(prop-2-en-1-yloxy)phenyl]ethylidene}-1,3-dihydro-2H-indol-2-one
Smiles: C=CCOc1ccccc1C(=O)/C=C\1/C(=O)Nc2c1cccc2
STK578743
Synonyms: 4-amino-N-(4-fluorobenzyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1sc(=S)n(c1N)c1ccccc1
STK578746
Synonyms: N-(2,5-dimethoxybenzyl)-5,7-dimethyl-N-(prop-2-en-1-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: C=CCN(C(=O)c1nn2c(n1)nc(cc2C)C)Cc1cc(OC)ccc1OC
STK849073
Synonyms: 3-(2-methoxyphenyl)-2,5-dimethyl-N-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2NC(C)C
STK578755
Synonyms: 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-[(3,4-dichlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N
STK849076
Synonyms: 3-(2-chlorophenyl)-5-methyl-N-[(2Z)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-1,2-oxazole-4-carboxamide
Smiles: Cc1ccc(cc1)c1[nH]/c(=N/C(=O)c2c(C)onc2c2ccccc2Cl)/sc1C
STK578758
Synonyms: 4-(4-ethylphenyl)-2-(ethylsulfanyl)-6-hydroxy-4,5-dihydropyridine-3-carbonitrile
Smiles: CCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)CC
STK578761
Synonyms: N-{[(2E)-4-(naphthalen-1-yl)-1,3-thiazol-2(3H)-ylidene]carbamothioyl}propanamide
Smiles: CCC(=O)NC(=S)/N=c\1/scc([nH]1)c1cccc2c1cccc2
STK578762
Synonyms: 2-(3,4-dimethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)C)c1ccc(c(c1)OC)OC
STK578764
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(4-ethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C
STK578767
Synonyms: N-[(3E)-1-ethyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-fluorobenzenesulfonamide
Smiles: CCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)F)/c2c1nc1cc(C)ccc1c2
STK849078
Synonyms: 1-(3-methoxypropyl)-2-[(3-methylpiperidin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)N1CCCC(C1)C
STK578772
Synonyms: 3-({(1E)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/Nc1cccc(c1)C(=O)O
STK578775
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
Smiles: O=C(N(Cc1cc2ccccc2[nH]c1=O)Cc1cccnc1)c1ccccc1
STK578781
Synonyms: 12-(furan-2-yl)-2-(4-methoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2ccco2)c2c(O1)cc(cc2)O
STK578782
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-hydroxy-1,3-diazaspiro[5.5]undeca-1,3-diene-5-carbonitrile
Smiles: N#CC1C(=NC(=NC21CCCCC2)N1CCN(CC1)Cc1ccc2c(c1)OCO2)O
STK578789
Synonyms: 5-(2-hydroxyphenyl)-N-{2-[(4-methylphenyl)carbonyl]-1-benzofuran-3-yl}-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1ccccc1O)cccc2
STK849079
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)CC(C)C
STK578791
Synonyms: N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(c(c1)Cl)OC
STK578793
Synonyms: 4-(ethylsulfanyl)-2-(3-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CCSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)OC
STK578794
Synonyms: 1-(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidinium-2-carboxylate
Smiles: [O-]C(=O)C1CCC[NH+]1c1nc(nc2c1oc1c2cccc1)c1ccccc1
STK849083
Synonyms: N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-6-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: COc1ccc2c(c1)s/c(=N\C(=O)c1cc(=O)c3c(o1)ccc(c3)C)/[nH]2
STK578796
Synonyms: (2'S,3S,3'S,10b'R)-2'-(furan-2-ylcarbonyl)-3'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3)c1ccccn1
STK578798
Synonyms: N-(furan-2-ylmethyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NCc1ccco1
STK578799
Synonyms: 4-[(4-fluorophenyl)carbonyl]-2-[3-(trifluoromethyl)phenyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F
STK578804
Synonyms: 5-(2-fluorophenyl)-4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/C=C/c1ccco1
STK578805
Synonyms: 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2)/C1=O)NC1CCS(=O)(=O)C1
STK578807
Synonyms: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1ccccn1
STK578808
Synonyms: 2-chloro-N-[(2Z)-5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Fc1ccccc1CSc1n[nH]/c(=N/C(=O)c2ccccc2Cl)/s1
STK849085
Synonyms: 2-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCc2ccccn2)CCC1
STK578814
Synonyms: 2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(3-chlorobenzyl)oxy]phenol
Smiles: Nc1nc(c2ccc(cc2O)OCc2cccc(c2)Cl)c(c(n1)C(F)(F)F)c1ccc(cc1)Cl
STK578821
Synonyms: (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)[4-(diphenylmethyl)piperazin-1-yl]methanone
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
STK578825
Synonyms: 7-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1CN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)C)Cl
STK578826
Synonyms: 4-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl]benzoicacid
Smiles: CC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1c1ccc(cc1)C(=O)O
STK578831
Synonyms: 2,2'-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl]imino}diethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C)CCO
STK578834
Synonyms: 5-(3,4-dimethoxyphenyl)-4-imino-3-[3-(morpholin-4-yl)propyl]-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c(=N)n(cn2)CCCN1CCOCC1)O
STK578836
Synonyms: 2-{[3-(dimethylamino)propyl]amino}-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(cc1)n1c(NCCCN(C)C)nc2c(c1=O)c1CCCCCc1s2
STK578837
Synonyms: 5-(benzyloxy)-2-[4-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1
STK849088
Synonyms: 5-tert-butyl-3-(2-chlorophenyl)-7-(1H-imidazol-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccccc1c1cnn2c1nc(cc2n1cncc1)C(C)(C)C
STK578849
Synonyms: 2-amino-5-(3,4-dimethoxyphenyl)-6-hydroxy-5,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: COc1ccc(cc1OC)C1C2=C(O)CCCC2=Nc2c1c(=O)[nH]c(n2)N
STK578855
Synonyms: 2-[(4-ethoxyphenyl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: CCOc1ccc(cc1)S(=O)(=O)N1CCc2c(C1C)cc(c(c2)OC)OC
STK578861
Synonyms: N-(9-ethyl-9H-carbazol-3-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)c1oc2c(c1C)C(=O)CCC2
STK578862
Synonyms: N-[4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)phenyl]furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1ccc(cc1)n1cc2c(c1c1ccccc1)c(=O)n(c(=O)n2C)C
STK578863
Synonyms: 6-chloro-4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-5,7-dimethyl-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)c2ccccc2F)c2c(o1)cc(c(c2C)Cl)C
STK578864
Synonyms: ethyl10-(furan-2-yl)-8-methyl-2-(2-methylphenyl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1ccccc1C
STK578865
Synonyms: ethyl1-[(5-fluoro-1H-indol-2-yl)carbonyl]piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)c1cc2c([nH]1)ccc(c2)F
STK578870
Synonyms: {[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)/C2=O
STK578876
Synonyms: N-(1H-indol-3-ylacetyl)phenylalanine
Smiles: O=C(Cc1c[nH]c2c1cccc2)NC(C(=O)O)Cc1ccccc1
STK578880
Synonyms: [4-(2,3-dimethylphenyl)piperazin-1-yl](1H-indol-7-yl)methanone
Smiles: Cc1c(C)cccc1N1CCN(CC1)C(=O)c1cccc2c1[nH]cc2
STK578882
Synonyms: 9,10-dimethoxy-2-(pyridin-3-ylmethoxy)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(OCc2cccnc2)nc1=O
STK849091
Synonyms: 5-methoxy-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(c(c1)O)c1n[nH]cc1c1scc(n1)C
STK578890
Synonyms: 4-chloro-N-[5-hydroxy-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: COc1ccc(cc1)c1nc2n(n1)c(cc(n2)O)NC(=O)c1ccc(cc1)Cl
STK849092
Synonyms: 1-{2-[(3-oxido-3,4-dihydro-2H-1,5,3-benzodioxaphosphepin-3-yl)oxy]ethyl}pyrrolidine-2,5-dione
Smiles: O=C1CCC(=O)N1CCOP1(=O)COc2c(OC1)cccc2
STK578897
Synonyms: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-4H-imidazol-5-ol
Smiles: Clc1ccc(c(c1)Cl)C1=N/C(=C/c2ccc3c(c2)OCO3)/C(=N1)O
STK578898
Synonyms: 3'-tert-butyl-3-(2-fluorophenyl)-6'-hydroxy-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: Fc1ccccc1N1CCN2C(C1)C1(Cc3c2cccc3)C(=NC(=O)N(C1=O)C(C)(C)C)O
STK578902
Synonyms: 2-[7-(3,5-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nc(n1)c1ccccc1O
STK849093
Synonyms: 3-(2-phenylethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: O=c1oc2c3CN(COc3ccc2c2c1CCC2)CCc1ccccc1
STK578903
Synonyms: N-(1-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-3-methyl-1-oxobut-2-en-2-yl)-2-chlorobenzamide
Smiles: CC(=C(C(=O)NCCc1nc2c([nH]1)cccc2)NC(=O)c1ccccc1Cl)C
STK578904
Synonyms: ethyl4-(4-hydroxyphenyl)-2-methyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c1ccccc1[nH]2
STK578905
Synonyms: 8-methoxy-5-methyl-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1n2C)N1CCCC(C1)C
STK578907
Synonyms: 5-(benzyloxy)-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: Oc1cc(OCc2ccccc2)ccc1c1onc(c1c1ccccc1)C
STK849097
Synonyms: 2-cyclopropyl-1-[(2,2-dichlorocyclopropyl)methyl]-1H-benzimidazole
Smiles: ClC1(Cl)CC1Cn1c(nc2c1cccc2)C1CC1
STK849098
Synonyms: 2-methylpropyl(6-bromo-4-oxoquinazolin-3(4H)-yl)acetate
Smiles: CC(COC(=O)Cn1cnc2c(c1=O)cc(cc2)Br)C
STK578913
Synonyms: 8,8-dimethyl-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCC(=O)N3CCCCC3)nnc2c2c1CC(C)(C)OC2
STK578914
Synonyms: ethyl(4-hydroxy-1H-1,5-benzodiazepin-2-yl)acetate
Smiles: CCOC(=O)CC1=CC(=Nc2c(N1)cccc2)O
STK578916
Synonyms: (5Z)-6-hydroxy-5-{(2E)-1-hydroxy-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2ccc(cc2)C(C)C)/O)/C1=O)O
STK849099
Synonyms: 6-benzyl-2-(furan-2-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1Cc1ccccc1)O)c1ccco1
STK578920
Synonyms: 4-amino-N-(4-fluorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(=S)n(c1N)C)NCc1ccc(cc1)F
STK849100
Synonyms: 5-(benzyloxy)-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1ccccc1
STK849101
Synonyms: 6-chloro-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-4H-chromene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
STK578933
Synonyms: 8-[(4-ethoxyphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: CCOc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1
STK578939
Synonyms: 1-[1-hydroxy-3,3-dimethyl-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Smiles: OC1=C2C(=Nc3c(N(C2c2cccnc2)C(=O)C)cccc3)CC(C1)(C)C
STK578943
Synonyms: N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1cc(O)nc2n1ncn2
STK849102
Synonyms: 3-(4-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2NCc1ccccn1
STK578944
Synonyms: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)CC(O2)C)/C(=O)NC1CCS(=O)(=O)C1
STK849103
Synonyms: 4-(2-fluorophenyl)-5-(pyrazin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1n1c(=S)[nH]nc1c1cnccn1
STK578949
Synonyms: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/N=C(N1c1nccs1)c1ccccc1
STK578950
Synonyms: (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])C)/c1ccccc1
STK578951
Synonyms: (5Z)-5-{[(5-methylpyridin-2-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: SC1=NC(=O)/C(=C\Nc2ccc(cn2)C)/C(=O)N1
STK578952
Synonyms: N-benzyl-N-butyl-5,6-dimethoxy-1H-indole-2-carboxamide
Smiles: CCCCN(C(=O)c1cc2c([nH]1)cc(c(c2)OC)OC)Cc1ccccc1
STK578954
Synonyms: N-[(4-ethoxyphenyl)carbamoyl]-L-phenylalanine
Smiles: CCOc1ccc(cc1)NC(=O)N[C@H](C(=O)O)Cc1ccccc1
STK849104
Synonyms: 4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1ccccc1O
STK578958
Synonyms: 2-{[8,9-di(furan-2-yl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(Cc2nc3n(n2)cnc2c3c(c3ccco3)c(o2)c2ccco2)C(=O)c2c1cccc2
STK578961
Synonyms: N-(3-chloro-2-methylphenyl)-5-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1cccc(c1C)Cl
STK578963
Synonyms: 4-({3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C\c2ccccc2)/C1=O
STK578969
Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-6-methyl-5-(2-methylbenzyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1cc(C)nc(n1)n1[nH]c2c(c1=O)c(O)c(c(n2)C)Cc1ccccc1C
STK849106
Synonyms: 5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2O
STK578973
Synonyms: N-(4-fluorophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CN1CCc2c(C1)cc1c(c2)OCCCO1
STK578977
Synonyms: 1-butyl-6-oxo-1,6-dihydropyridazine-3-carboxylicacid
Smiles: CCCCn1nc(ccc1=O)C(=O)O
STK578979
Synonyms: 2-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCCCC1C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK578980
Synonyms: 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: CCCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)NCc1ccncc1
STK578988
Synonyms: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)[N+](=O)[O-])O)/c1scc(n1)c1cccc(c1)Br
STK578991
Synonyms: N-(2-methoxyphenyl)-5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: COc1ccccc1Nc1ncnc2c1c(C)c(n2c1cccnc1)C
STK578992
Synonyms: 4-amino-N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)NC1(C(=O)Nc2c1c(=O)n(c(=O)n2C)C)C(F)(F)F
STK849109
Synonyms: 6-methyl-N-[(2Z)-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: CSc1n[nH]/c(=N/C(=O)c2cc(=O)c3c(o2)ccc(c3)C)/s1
STK578997
Synonyms: N-(6-methylpyridin-2-yl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide
Smiles: O=C(Nc1cccc(n1)C)COc1ccc2c(c1)c1CCCCc1o2
STK578999
Synonyms: N-(3-chloro-4-fluorophenyl)-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(c1)Cl)F
STK849110
Synonyms: N-cyclohexyl-N-ethyl-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N(C1CCCCC1)CC
STK579010
Synonyms: 4-(4-fluorophenyl)-5-(pyrazin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)n1c(=S)[nH]nc1c1cnccn1
STK579012
Synonyms: 4,7,7-trimethyl-N-(4-methylpiperazin-1-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: CN1CCN(CC1)NC(=O)C12CCC(C2(C)C)(C(=O)O1)C
STK579018
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl
STK579023
Synonyms: N-(2-methoxyphenyl)-3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Smiles: COc1ccccc1NC(=O)CCn1c(C)nc2c1cccc2
STK849112
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)F
STK849113
Synonyms: 3-(2-chlorophenyl)-5-methyl-7-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCCC2)n2c(n1)c(cn2)c1ccccc1Cl
STK579027
Synonyms: 2,2'-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]imino}diethanol
Smiles: OCCN(c1cc(nc(n1)n1nc(cc1C)C)c1ccccc1)CCO
STK579028
Synonyms: 5-(4-chlorophenyl)-6-hydroxy-1,3,8,8-tetramethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Smiles: Clc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)n(C)c(=O)n2C)(C)C
STK579034
Synonyms: 2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)amino]ethanol
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCO
STK579041
Synonyms: 2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-[(2-hydroxyquinolin-4-yl)methyl]-N-methylacetamide
Smiles: O=C1NC(=O)C(S1)CC(=O)N(Cc1cc(O)nc2c1cccc2)C
STK579044
Synonyms: 5-(4-methoxyphenyl)-1,3-dimethyl-10-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccccc1
STK579045
Synonyms: 2-[(2-oxo-2H-chromen-7-yl)oxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)cc2)NCCc1ccc(cc1)S(=O)(=O)N
STK579046
Synonyms: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK579049
Synonyms: 7-(5-chloro-2-methylphenyl)-2-(thiophen-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(c(c1)n1ncc2c1ncn1c2nc(n1)c1cccs1)C
STK579050
Synonyms: 5-[(3-chlorobenzyl)oxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
Smiles: Clc1cccc(c1)COc1ccc(c(c1)O)c1ncnc(c1c1ccccc1)C(F)(F)F
STL036521
Synonyms: 2-(4-fluorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
Smiles: Fc1ccc(cc1)c1nn2c(n1)c1c(C2)cccc1
STK849119
Synonyms: 6,7-dimethoxy-2-sulfanyl-3-(thiophen-2-ylmethyl)quinazolin-4(3H)-one
Smiles: COc1cc2c(cc1OC)nc(n(c2=O)Cc1cccs1)S
STK579055
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-chlorophenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1cc(Cl)c(cc1O)C
STK849122
Synonyms: (5E)-5-[2,5-dimethoxy-4-(pyrrolidin-1-yl)benzylidene]-2-hydroxy-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1cc(N2CCCC2)c(cc1/C=C\1/N=C(NC1=O)O)OC
STK579071
Synonyms: (5S)-3-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(propan-2-yl)imidazolidine-2,4-dione
Smiles: CCN1CCN(CC1)c1ccc(cc1)N1C(=O)N[C@H](C1=O)C(C)C
STK849124
Synonyms: 6-benzyl-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1ccc(cc1)c1nn2c(c1)nc(c(c2O)Cc1ccccc1)C
STK849125
Synonyms: 6-(2,3-dimethoxyphenyl)-N-(4-fluorophenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: COc1cccc(c1OC)C1NC(=NC(=C1C(=O)Nc1ccc(cc1)F)C)O
STK579074
Synonyms: 3-[(5E)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
Smiles: O=C(CCN1C(=O)S/C(=C/c2ccc(cc2)F)/C1=O)NCCc1c[nH]c2c1cccc2
STK579075
Synonyms: 3-[(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cc(F)cc1
STK579077
Synonyms: 2,8,8,10,10-pentamethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nc2n(n1)cnc1c2c2CC(C)(C)NC(c2s1)(C)C
STK579079
Synonyms: 3-[(3a'S,6a'R)-5'-(2-chlorobenzyl)-5-fluoro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(F)cc1
STK579084
Synonyms: 7-(4-ethylpiperazin-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)c1ccccc1
STK579085
Synonyms: (5,6-dimethoxy-1H-indol-2-yl)[4-(furan-2-ylcarbonyl)piperazin-1-yl]methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCN(CC1)C(=O)c1ccco1
STK579089
Synonyms: 5,6-di(furan-2-yl)-N-[3-(1H-imidazol-1-yl)propyl]furo[2,3-d]pyrimidin-4-amine
Smiles: C(Nc1ncnc2c1c(c1ccco1)c(o2)c1ccco1)CCn1cncc1
STK579091
Synonyms: 3-hydroxy-2-{(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl}quinazolin-4(3H)-one
Smiles: On1c(N/N=C/c2c(O)ccc3c2cccc3)nc2c(c1=O)cccc2
STK579093
Synonyms: 2-({5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-dimethylacetamide
Smiles: N[C@H](c1nnc(o1)SCC(=O)N(C)C)Cc1ccccc1
STK849127
Synonyms: N-[(3Z)-1-ethyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-3-carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)c2cccnc2)/c2c1nc1cc(C)ccc1c2
STK849129
Synonyms: 4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Clc1cccc(c1)C1N(CCc2ccccc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK579096
Synonyms: N-(3-methoxyphenyl)-5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: COc1cccc(c1)Nc1ncnc2c1c(C)c(n2c1cccnc1)C
STK579101
Synonyms: 2-chloro-N'-{(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}benzohydrazide
Smiles: C=CCN1C(=O)N=C(/C(=C(\NNC(=O)c2ccccc2Cl)/CC)/C1=O)O
STK849131
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-fluoro-5-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O
STK579105
Synonyms: N-[(4-butylphenyl)carbamoyl]-D-phenylalanine
Smiles: CCCCc1ccc(cc1)NC(=O)N[C@@H](C(=O)O)Cc1ccccc1
STK579107
Synonyms: 1-{N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucyl}piperidine-4-carboxylicacid
Smiles: CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)Cl)C
STK849132
Synonyms: 3-[(2-methylprop-2-en-1-yl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-amine
Smiles: CC(=C)CSc1nnc(n1N)c1ccccc1
STK849133
Synonyms: 2-methoxy-N-[(2Z)-5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc(cc1CSc1n[nH]/c(=N/C(=O)c2ccccc2OC)/s1)[N+](=O)[O-]
STK579116
Synonyms: 2-(2-chlorophenoxy)-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COCCCN1C(=S)S/C(=C\c2c(Oc3ccccc3Cl)nc3n(c2=O)cccc3)/C1=O
STK579119
Synonyms: N-[(2E)-3-(3-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-phenylpropanamide
Smiles: O=C(/N=C\1/SC2C(N1c1cccc(c1)Cl)CS(=O)(=O)C2)CCc1ccccc1
STK579121
Synonyms: (5Z)-3-(4-fluorobenzyl)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)F
STK579122
Synonyms: N-[4-(4-methoxyphenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]furan-2-carboxamide
Smiles: COc1ccc(cc1)c1c(NC(=O)c2ccco2)n(nc(c1=O)C)c1ccc(cc1)C
STK579123
Synonyms: 2-{[4-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Smiles: Clc1ccc(cc1)n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2
STK579125
Synonyms: N-{4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
STK579126
Synonyms: N-[(2Z)-3-(4-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: Brc1ccc(cc1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2
STK849135
Synonyms: 4-{[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1ccccc1C
STK849136
Synonyms: methyl{2-[(2-methoxybenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1=O)nc([nH]2)NCc1ccccc1OC
STK579131
Synonyms: 1',4,4-trimethyl-6'-nitro-2'-phenyl-1',4'-dihydro-2H,2'H,6H-spiro[cyclohexane-1,3'-quinoline]-2,6-dione
Smiles: O=C1CC(C)(C)CC(=O)C21Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-]
STK579132
Synonyms: 5,6-dimethoxy-N-(2-methoxyphenyl)-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)Nc1ccccc1OC
STK579134
Synonyms: (3aR,6aS)-5-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)F
STK849137
Synonyms: methyl4-[3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK849139
Synonyms: 8-(2-chloro-6-fluorophenyl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1c(F)cccc1Cl
STL036522
Synonyms: 4-(2-methoxyphenyl)-3-phenyl-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Smiles: COc1ccccc1C1CC(=O)Nc2c1c([nH]n2)c1ccccc1
STK579144
Synonyms: (2Z)-6-[(2-chlorobenzyl)oxy]-2-(2H-chromen-3-ylmethylidene)-1-benzofuran-3(2H)-one
Smiles: O=C1/C(=C/C2=Cc3c(OC2)cccc3)/Oc2c1ccc(c2)OCc1ccccc1Cl
STK579146
Synonyms: 4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2H-benzo[h]chromen-2-one
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1ccc1c2cccc1
STK579148
Synonyms: 2-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
Smiles: Cc1c(C)oc2c1c(NCCO)ncn2
STL036523
Synonyms: 4-(1,3-benzothiazol-2-yl)-N-phenylpiperazine-1-carboxamide
Smiles: O=C(N1CCN(CC1)c1nc2c(s1)cccc2)Nc1ccccc1
STK579151
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C
STK579152
Synonyms: 5-bromo-N-[(2Z)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: COc1cc(ccc1OC)c1cs/c(=N\C(=O)c2ccc(o2)Br)/[nH]1
STK579156
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4-(4-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)c1cc(C)cc(c1O)C
STK849145
Synonyms: 5-[(4-chlorobenzyl)oxy]-2-[4-(4-methoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1)Cl
STK849147
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenyl-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: C=CCc1c(C)nc2n(c1NCCc1ccc(c(c1)OC)OC)ncc2c1ccccc1
STK579160
Synonyms: 7-(1H-benzimidazol-1-yl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1nc2c(c3ccccc3)c(nn2c(c1)n1cnc2c1cccc2)C
STK579162
Synonyms: 11-(4-fluorophenyl)-3-methyl-2,3,4,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1-ol
Smiles: CC1CC(=C2C(=Nc3ccccc3SC2c2ccc(cc2)F)C1)O
STK579165
Synonyms: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(2-methoxyethyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK849148
Synonyms: 1-(4-fluorophenyl)-2,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C
STK579167
Synonyms: N-[(3Z)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1ccccc1c2
STK579169
Synonyms: 7-chloro-6-methyl-1-phenyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: O=C1N(Cc2cccnc2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1ccccc1
STK579171
Synonyms: 2-[(2,3-dichlorophenyl)amino]-8-methyl-4-[4-(propan-2-yl)phenyl]-4H-pyrimido[1,2-a][1,3,5]triazin-6-ol
Smiles: Cc1cc(O)n2c(=NC(=NC2c2ccc(cc2)C(C)C)Nc2cccc(c2Cl)Cl)n1
STK579172
Synonyms: N-(1-imino-1,3-dihydro-2H-isoindol-2-yl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: N=C1N(Cc2c1cccc2)NC(=O)C12CCC(C2(C)C)(C(=O)O1)C
STK579173
Synonyms: (1R,2S)-2-[benzyl(butyl)carbamoyl]cyclohexanecarboxylicacid
Smiles: CCCCN(C(=O)[C@H]1CCCC[C@H]1C(=O)O)Cc1ccccc1
STK579174
Synonyms: 6-chloro-4-{[4-(ethoxycarbonyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Smiles: CCOC(=O)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)[O-]
STK579175
Synonyms: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(=S)n(c1N)c1ccccc1)NCc1ccc2c(c1)OCO2
STK579178
Synonyms: 3-(2,5-dimethylphenyl)-6-hydroxy-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)c1cc(C)ccc1C)O
STK579179
Synonyms: 4-methoxy-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1nonc1c1ccc(cc1)C
STK849151
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-ylmorpholine-4-carboxylate
Smiles: O=C(N1CCOCC1)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2
STK579181
Synonyms: 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK579182
Synonyms: 4-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
Smiles: Nc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCCC2
STK579183
Synonyms: (6aR,6bS,7aS,8S,11R,11aR,12aR,13S)-13-(phenylcarbonyl)-6a,6b,7a,8,11,11a,12a,13-octahydro-8,11-methanobenzo[5,6]isoindolo[2,1-a]quinoline-7,12-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)C4)c1ccccc1
STK579187
Synonyms: 7-(furan-2-yl)-9-[3-(morpholin-4-yl)propyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine
Smiles: N=c1n(CCCN2CCOCC2)cnc2c1C(c1ccco1)c1c(O2)c2ccccc2cc1
STK849155
Synonyms: 2-{[(5E)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Smiles: Cc1ccc(cc1NC(=O)CSc1n[nH]/c(=N\C(=O)C)/s1)Cl
STK579190
Synonyms: N-benzyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCc2ccccc2)CCC1
STK579192
Synonyms: 1-[11-(3,5-difluorophenyl)-1-hydroxy-3-methyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-methylpropan-1-one
Smiles: CC1CC(=C2C(=Nc3ccccc3N(C2c2cc(F)cc(c2)F)C(=O)C(C)C)C1)O
STK579194
Synonyms: 4-[(dibutylamino)methyl]-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: CCCCN(Cc1cc(=O)oc2c1cc1CCCc1c2)CCCC
STK579199
Synonyms: 5-(3,4-dichlorophenyl)-N'-[(E)-pyridin-4-ylmethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)N/N=C/c1ccncc1
STK579200
Synonyms: 1-(N-{[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-valyl)piperidine-4-carboxylicacid
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)N1CCC(CC1)C(=O)O)C(C)C
STK579201
Synonyms: tert-butyl{(1S)-1-[5-(benzylsulfonyl)-1,3,4-oxadiazol-2-yl]-3-methylbutyl}carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1)NC(=O)OC(C)(C)C)C
STK579203
Synonyms: 2-fluoro-N-[2-(furan-2-yl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2F)n2c(n1)nc(n2)c1ccco1
STK579205
Synonyms: 3-phenyl-2,5-dihydrothiophene1,1-dioxide
Smiles: O=S1(=O)CC=C(C1)c1ccccc1
STK579207
Synonyms: {[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}aceticacid
Smiles: CC1CC(C)CN(C1)C(=O)CSCC(=O)O
STK579209
Synonyms: N-(2-methoxyphenyl)-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Smiles: COc1ccccc1Nc1ncnc2c1c(C)c(o2)C
STK579210
Synonyms: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: CCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)cc(c2O)C)sc2c1CCCC2
STK579214
Synonyms: 9-methoxy-6-[2-(4-methylphenoxy)ethyl]-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(cc1)C
STK579215
Synonyms: methylN-[(thiophen-2-ylmethyl)carbamoyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)NCc1cccs1)C
STK579223
Synonyms: 7-benzyl-N-[3-(1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c(NCCCn2cncc2)ncn1
STK579228
Synonyms: 2-(4-methoxyphenyl)-N-[3-(1H-tetrazol-1-yl)phenyl]acetamide
Smiles: COc1ccc(cc1)CC(=O)Nc1cccc(c1)n1cnnn1
STK849159
Synonyms: 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)F)c(=O)c1c(o2)cccc1
STK579233
Synonyms: 4-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzamide
Smiles: CC1=NN(C(=O)/C/1=C\Nc1ccc(cc1)C(=O)N)c1ccccc1
STK579234
Synonyms: 2-[(2,3-dimethylphenyl)amino]-4-(2-methoxyphenyl)-8-methyl-4H-pyrimido[1,2-a][1,3,5]triazin-6-ol
Smiles: COc1ccccc1C1N=C(Nc2cccc(c2C)C)N=c2n1c(O)cc(n2)C
STK579235
Synonyms: methylN-(cyclopentylcarbamoyl)-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)NC1CCCC1)C
STK579239
Synonyms: methyl[1-(1H-benzimidazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetate
Smiles: COC(=O)Cc1[nH]n(c(=O)c1)c1nc2c([nH]1)cccc2
STK579242
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-methoxyphenoxy)acetamide
Smiles: COc1ccc(cc1)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK579243
Synonyms: N-(3-bromobenzyl)-2-(2-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccccc1Cl
STK849160
Synonyms: N-[(2E)-6-(methylsulfamoyl)-1,3-benzothiazol-2(3H)-ylidene]pyridine-4-carboxamide
Smiles: CNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccncc1)/[nH]2
STK849163
Synonyms: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O
STK579254
Synonyms: 3-benzyl-4-imino-5-(2-methoxyphenyl)-3,5-dihydro-4H-chromeno[2,3-d]pyrimidin-8-ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c(=N)n(cn2)Cc1ccccc1)O
STK579256
Synonyms: 4-{[(E)-furan-2-ylmethylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccco1
STK579260
Synonyms:
Smiles: CCC([C@@H](C(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O)C
STK849164
Synonyms: ethyl4-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}piperidine-1-carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
STK579265
Synonyms: 5-(3-cyclopropyl-1H-pyrazol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCCO2)c1[nH]nc(c1)C1CC1
STK579266
Synonyms: N-[2-(4-chlorophenyl)ethyl]-2-(7,8-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NCCc1ccc(cc1)Cl
STK579267
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)Br
STK849167
Synonyms: 3,6,6-trimethyl-N-(4-methylpyridin-2-yl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: Cc1ccnc(c1)NC(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C
STK849168
Synonyms: 6-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide
Smiles: CNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)ccc(c3)Cl)sc2c1CCCC2
STK579278
Synonyms: N-[(9-oxo-9H-fluoren-4-yl)carbonyl]-L-phenylalanine
Smiles: OC(=O)[C@@H](NC(=O)c1cccc2c1c1ccccc1C2=O)Cc1ccccc1
STK579280
Synonyms: 3,4-dihydroisoquinolin-2(1H)-yl(5,6-dimethoxy-1H-indol-2-yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCc2c(C1)cccc2
STK579284
Synonyms: 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-(3-methylbutyl)pyrimidin-4-ol
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)Nc1nc(C)c(c(n1)O)CCC(C)C
STK579286
Synonyms: 3-(4-chlorobenzyl)-4-methylpyrimido[1,2-a]benzimidazol-2-ol
Smiles: Clc1ccc(cc1)Cc1c(O)nc2n(c1C)c1ccccc1n2
STK849169
Synonyms: 1-(3-methoxypropyl)-9-methyl-4-oxo-N-(pyridin-3-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1cccnc1
STK579293
Synonyms: 1-amino-8,8-dimethyl-5-(pyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)Nc1nccs1
STK579294
Synonyms: N-(5-chloro-2-methoxyphenyl)-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C)Cl
STK579297
Synonyms: 6-benzyl-7-hydroxy-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Smiles: N#Cc1c(C)nn2c1nc(C)c(c2O)Cc1ccccc1
STK849170
Synonyms: N-(3-fluorophenyl)-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1cccc(c1)F