 | XH6 | Name: | 3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-indazole | Formula: | C18 H19 Cl N2 O | SMILES: | CC(C)c1cc(Cl)c(C)cc1OCc1n[NH]c2ccccc21 | InChi: | InChI=1S/C18H19ClN2O/c1-11(2)14-9-15(19)12(3)8-18(14)22-10-17-13-6-4-5-7-16(13)20-21-17/h4-9,11H,10H2,1-3H3,(H,20,21) | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-indazole |
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 | XHC | Name: | (5S)-3-({4-chloro-3-[(4-chlorophenyl)methyl]phenyl}methyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione | Formula: | C25 H22 Cl2 N2 O2 | SMILES: | Clc1ccc(cc1)Cc1cc(CN2C(=O)C(C)(NC2=O)c2ccc(C)cc2)ccc1Cl | InChi: | InChI=1S/C25H22Cl2N2O2/c1-16-3-8-20(9-4-16)25(2)23(30)29(24(31)28-25)15-18-7-12-22(27)19(14-18)13-17-5-10-21(26)11-6-17/h3-12,14H,13,15H2,1-2H3,(H,28,31)/t25-/m0/s1 | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (5S)-3-({4-chloro-3-[(4-chlorophenyl)methyl]phenyl}methyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione |
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 | XHH | Name: | (3M)-6-chloro-3-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-1H-pyrazolo[3,4-b]pyridine | Formula: | C19 H19 Cl N4 O2 | SMILES: | Clc1ccc2c(n1)[NH]nc2c1cc(c(nc1)OC1CCOCC1)C1CC1 | InChi: | InChI=1S/C19H19ClN4O2/c20-16-4-3-14-17(23-24-18(14)22-16)12-9-15(11-1-2-11)19(21-10-12)26-13-5-7-25-8-6-13/h3-4,9-11,13H,1-2,5-8H2,(H,22,23,24) | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (3M)-6-chloro-3-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-1H-pyrazolo[3,4-b]pyridine |
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 | XHL | Name: | (4R)-5-(1-acetylpiperidin-4-yl)-4-[(E)-(4-chlorophenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one | Formula: | C16 H18 Cl N5 O2 | SMILES: | CC(=O)N1CCC(CC1)C1=NNC(=O)C1/N=N/c1ccc(Cl)cc1 | InChi: | InChI=1S/C16H18ClN5O2/c1-10(23)22-8-6-11(7-9-22)14-15(16(24)21-19-14)20-18-13-4-2-12(17)3-5-13/h2-5,11,15H,6-9H2,1H3,(H,21,24)/b20-18+ | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (4R)-5-(1-acetylpiperidin-4-yl)-4-[(E)-(4-chlorophenyl)diazenyl]-2,4-dihydro-3H-pyrazol-3-one |
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 | XHQ | Name: | (3,5-dichlorophenyl)methyl (7R)-7-[(1H-benzotriazole-6-carbonyl)amino]-5-oxa-2-azaspiro[3.4]octane-2-carboxylate | Formula: | C21 H19 Cl2 N5 O4 | SMILES: | Clc1cc(cc(Cl)c1)COC(=O)N1CC2(C1)CC(NC(=O)c1ccc3nn[NH]c3c1)CO2 | InChi: | InChI=1S/C21H19Cl2N5O4/c22-14-3-12(4-15(23)6-14)8-31-20(30)28-10-21(11-28)7-16(9-32-21)24-19(29)13-1-2-17-18(5-13)26-27-25-17/h1-6,16H,7-11H2,(H,24,29)(H,25,26,27) | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (3,5-dichlorophenyl)methyl (7R)-7-[(1H-benzotriazole-6-carbonyl)amino]-5-oxa-2-azaspiro[3.4]octane-2-carboxylate |
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 | XHU | Name: | (1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile | Formula: | C23 H16 Cl F N4 O2 | SMILES: | Fc1ccc(OC2CC2)cc1c1cc(C#N)c(Cl)cc1OCc1n[NH]c2ncccc21 | InChi: | InChI=1S/C23H16ClFN4O2/c24-19-10-22(30-12-21-16-2-1-7-27-23(16)29-28-21)18(8-13(19)11-26)17-9-15(5-6-20(17)25)31-14-3-4-14/h1-2,5-10,14H,3-4,12H2,(H,27,28,29) | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile |
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 | XI4 | Name: | 3-cyclopropyl-5-{3-ethyl-2-fluoro-6-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenoxy}benzonitrile | Formula: | C22 H21 F N4 O3 | SMILES: | N#Cc1cc(cc(c1)C1CC1)Oc1c(OCC2=NNC(=O)N2C)ccc(CC)c1F | InChi: | InChI=1S/C22H21FN4O3/c1-3-14-6-7-18(29-12-19-25-26-22(28)27(19)2)21(20(14)23)30-17-9-13(11-24)8-16(10-17)15-4-5-15/h6-10,15H,3-5,12H2,1-2H3,(H,26,28) | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 3-cyclopropyl-5-{3-ethyl-2-fluoro-6-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenoxy}benzonitrile |
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 | XI8 | Name: | 2-[(5M,9aM)-7-(1-acetylpiperidin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide | Formula: | C25 H26 Cl2 N4 O3 | SMILES: | O=C(C)N1CCC(CC1)C=1C=CC2=NC=C(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)C(=O)N2C=1 | InChi: | InChI=1S/C25H26Cl2N4O3/c1-16(32)30-9-7-18(8-10-30)19-4-6-23-28-13-20(25(34)31(23)15-19)12-24(33)29(2)14-17-3-5-21(26)22(27)11-17/h3-6,11,13,15,18H,7-10,12,14H2,1-2H3 | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 2-[(5M,9aM)-7-(1-acetylpiperidin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide |
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 | XIC | Name: | 2,4-dichloro-N-phenyl-5-(piperidine-1-sulfonyl)benzamide | Formula: | C18 H18 Cl2 N2 O3 S | SMILES: | O=S(=O)(c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl)N1CCCCC1 | InChi: | InChI=1S/C18H18Cl2N2O3S/c19-15-12-16(20)17(26(24,25)22-9-5-2-6-10-22)11-14(15)18(23)21-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23) | Definition date: | 2023-06-06 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 2,4-dichloro-N-phenyl-5-(piperidine-1-sulfonyl)benzamide |
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 | XIV | Name: | 4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}-2,3-difluorobenzene-1-sulfonamide | Formula: | C26 H29 Cl F2 N4 O4 S | SMILES: | NS(=O)(=O)c1ccc(c(F)c1F)C(=O)N1CCc2[NH]nc(OCc3cc(C)c(Cl)cc3C(C)(C)C)c2CC1 | InChi: | InChI=1S/C26H29ClF2N4O4S/c1-14-11-15(18(12-19(14)27)26(2,3)4)13-37-24-16-7-9-33(10-8-20(16)31-32-24)25(34)17-5-6-21(38(30,35)36)23(29)22(17)28/h5-6,11-12H,7-10,13H2,1-4H3,(H,31,32)(H2,30,35,36) | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}-2,3-difluorobenzene-1-sulfonamide |
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 | XJ6 | Name: | (2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone | Formula: | C19 H19 Cl N4 O2 | SMILES: | O=C(N1CCC21COC2)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1 | InChi: | InChI=1S/C19H19ClN4O2/c20-15-2-1-12-6-16(7-13(12)5-15)23-18-21-8-14(9-22-18)17(25)24-4-3-19(24)10-26-11-19/h1-2,5,8-9,16H,3-4,6-7,10-11H2,(H,21,22,23)/t16-/m0/s1 | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone |
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 | XJC | Name: | 4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}benzene-1-sulfonamide | Formula: | C26 H31 Cl N4 O4 S | SMILES: | NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2[NH]nc(OCc3cc(C)c(Cl)cc3C(C)(C)C)c2CC1 | InChi: | InChI=1S/C26H31ClN4O4S/c1-16-13-18(21(14-22(16)27)26(2,3)4)15-35-24-20-9-11-31(12-10-23(20)29-30-24)25(32)17-5-7-19(8-6-17)36(28,33)34/h5-8,13-14H,9-12,15H2,1-4H3,(H,29,30)(H2,28,33,34) | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 4-{3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(1H)-carbonyl}benzene-1-sulfonamide |
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 | XJK | Name: | 5-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydro-1H-benzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide | Formula: | C20 H19 Cl N4 O3 S | SMILES: | Clc1ccc(cc1)c1sc(nc1C(=O)NC)N1CNc2cc(OC)c(OC)cc21 | InChi: | InChI=1S/C20H19ClN4O3S/c1-22-19(26)17-18(11-4-6-12(21)7-5-11)29-20(24-17)25-10-23-13-8-15(27-2)16(28-3)9-14(13)25/h4-9,23H,10H2,1-3H3,(H,22,26) | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 5-(4-chlorophenyl)-2-(5,6-dimethoxy-2,3-dihydro-1H-benzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide |
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 | XJQ | Name: | N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-(4-{[(3S)-oxolan-3-yl]methyl}piperazin-1-yl)quinazolin-3(4H)-yl]acetamide | Formula: | C26 H29 Cl2 N5 O3 | SMILES: | Clc1ccc(cc1Cl)CNC(=O)CN1C=Nc2ccc(cc2C1=O)N1CCN(CC2CCOC2)CC1 | InChi: | InChI=1S/C26H29Cl2N5O3/c27-22-3-1-18(11-23(22)28)13-29-25(34)15-33-17-30-24-4-2-20(12-21(24)26(33)35)32-8-6-31(7-9-32)14-19-5-10-36-16-19/h1-4,11-12,17,19H,5-10,13-16H2,(H,29,34)/t19-/m0/s1 | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | N-[(3,4-dichlorophenyl)methyl]-2-[4-oxo-6-(4-{[(3S)-oxolan-3-yl]methyl}piperazin-1-yl)quinazolin-3(4H)-yl]acetamide |
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 | XJU | Name: | 3-(2,4-dichlorophenyl)-N-{(4R)-2-[2-(methylamino)-2-oxoethyl]-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl}propanamide | Formula: | C22 H23 Cl2 N3 O3 | SMILES: | Clc1ccc(CCC(=O)NC2Cc3ccccc3CN(CC(=O)NC)C2=O)c(Cl)c1 | InChi: | InChI=1S/C22H23Cl2N3O3/c1-25-21(29)13-27-12-16-5-3-2-4-15(16)10-19(22(27)30)26-20(28)9-7-14-6-8-17(23)11-18(14)24/h2-6,8,11,19H,7,9-10,12-13H2,1H3,(H,25,29)(H,26,28) | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 3-(2,4-dichlorophenyl)-N-{(4R)-2-[2-(methylamino)-2-oxoethyl]-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl}propanamide |
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 | XK5 | Name: | 6-chloro-9-(2-{[(2S)-oxan-2-yl]oxy}ethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one | Formula: | C18 H21 Cl N2 O3 | SMILES: | Clc1cc2c(cc1)n(CCOC1CCCCO1)c1c2CCNC1=O | InChi: | InChI=1S/C18H21ClN2O3/c19-12-4-5-15-14(11-12)13-6-7-20-18(22)17(13)21(15)8-10-24-16-3-1-2-9-23-16/h4-5,11,16H,1-3,6-10H2,(H,20,22)/t16-/m1/s1 | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 6-chloro-9-(2-{[(2R)-oxan-2-yl]oxy}ethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one |
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 | XKT | Name: | 2-(3,4-dichlorophenyl)-1-{8-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one | Formula: | C24 H20 Cl2 F N O | SMILES: | Clc1ccc(cc1Cl)CC(=O)N1Cc2c(cccc2Cc2ccc(F)cc2)CC1 | InChi: | InChI=1S/C24H20Cl2FNO/c25-22-9-6-17(13-23(22)26)14-24(29)28-11-10-18-2-1-3-19(21(18)15-28)12-16-4-7-20(27)8-5-16/h1-9,13H,10-12,14-15H2 | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 2-(3,4-dichlorophenyl)-1-{8-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one |
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 | XKX | Name: | 2-{6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1H-indol-1-yl}-N,N-dimethylacetamide | Formula: | C26 H30 Cl N3 O3 | SMILES: | O=C(c1cn(CC(=O)N(C)C)c2cc(Cl)c(C)cc21)N1CCC(CC1)c1ccccc1OC | InChi: | InChI=1S/C26H30ClN3O3/c1-17-13-20-21(15-30(16-25(31)28(2)3)23(20)14-22(17)27)26(32)29-11-9-18(10-12-29)19-7-5-6-8-24(19)33-4/h5-8,13-15,18H,9-12,16H2,1-4H3 | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 2-{6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1H-indol-1-yl}-N,N-dimethylacetamide |
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 | XLE | Name: | 4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}benzene-1-sulfonamide | Formula: | C25 H29 F3 N6 O3 S | SMILES: | NS(=O)(=O)c1ccc(cc1)CC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | InChi: | InChI=1S/C25H29F3N6O3S/c1-17-30-32-34(31-17)16-21-15-22(25(26,27)28)6-4-20(21)5-9-24(35)33-12-10-19(11-13-33)14-18-2-7-23(8-3-18)38(29,36)37/h2-4,6-8,15,19H,5,9-14,16H2,1H3,(H2,29,36,37) | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}benzene-1-sulfonamide |
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 | XLL | Name: | 4-tert-butyl-2-chloro-5-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]benzonitrile | Formula: | C18 H17 Cl N4 O | SMILES: | CC(C)(C)c1cc(Cl)c(C#N)cc1OCc1n[NH]c2ncccc21 | InChi: | InChI=1S/C18H17ClN4O/c1-18(2,3)13-8-14(19)11(9-20)7-16(13)24-10-15-12-5-4-6-21-17(12)23-22-15/h4-8H,10H2,1-3H3,(H,21,22,23) | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 4-tert-butyl-2-chloro-5-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]benzonitrile |
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 | XLT | Name: | 5-{3-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl]-3-oxopropyl}-1,3-oxazol-2(3H)-one | Formula: | C29 H38 N4 O6 | SMILES: | O=C1NC=C(O1)CCC(=O)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | InChi: | InChI=1S/C29H38N4O6/c34-27(4-3-24-15-30-29(36)39-24)33-16-21-5-9-32(10-6-22(21)17-33)28(35)23-13-25(20-1-2-20)31-26(14-23)38-18-19-7-11-37-12-8-19/h13-15,19-22H,1-12,16-18H2,(H,30,36) | Definition date: | 2023-06-07 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 5-{3-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepin-2(1H)-yl]-3-oxopropyl}-1,3-oxazol-2(3H)-one |
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 | XQR | Name: | S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate | Formula: | C22 H19 F3 N4 O3 S2 | SMILES: | FC(F)(F)c1ccc(cc1)Cc1ncnc2CCN(Cc12)C(=O)Sc1ccc(cc1)S(N)(=O)=O | InChi: | InChI=1S/C22H19F3N4O3S2/c23-22(24,25)15-3-1-14(2-4-15)11-20-18-12-29(10-9-19(18)27-13-28-20)21(30)33-16-5-7-17(8-6-16)34(26,31)32/h1-8,13H,9-12H2,(H2,26,31,32) | Definition date: | 2023-06-08 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | S-(4-sulfamoylphenyl) 4-{[4-(trifluoromethyl)phenyl]methyl}-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbothioate |
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 | XQW | Name: | 4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-sulfonyl]benzene-1-sulfonamide | Formula: | C23 H26 F3 N7 O5 S2 | SMILES: | NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | InChi: | InChI=1S/C23H26F3N7O5S2/c1-16-28-30-33(29-16)15-18-14-19(23(24,25)26)4-2-17(18)3-9-22(34)31-10-12-32(13-11-31)40(37,38)21-7-5-20(6-8-21)39(27,35)36/h2,4-8,14H,3,9-13,15H2,1H3,(H2,27,35,36) | Definition date: | 2023-06-08 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-sulfonyl]benzene-1-sulfonamide |
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 | XR0 | Name: | 3-fluoro-4-{[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]methyl}benzene-1-sulfonamide | Formula: | C24 H27 F4 N7 O3 S | SMILES: | NS(=O)(=O)c1ccc(CN2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1 | InChi: | InChI=1S/C24H27F4N7O3S/c1-16-30-32-35(31-16)15-19-12-20(24(26,27)28)5-2-17(19)4-7-23(36)34-10-8-33(9-11-34)14-18-3-6-21(13-22(18)25)39(29,37)38/h2-3,5-6,12-13H,4,7-11,14-15H2,1H3,(H2,29,37,38) | Definition date: | 2023-06-08 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | 3-fluoro-4-{[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]methyl}benzene-1-sulfonamide |
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 | XR6 | Name: | (2E)-N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-(2-phenoxyethyl)prop-2-enamide | Formula: | C22 H22 F3 N5 O2 | SMILES: | FC(F)(F)c1cc(Cn2nc(C)nn2)c(cc1)/C=C/C(=O)N(C)CCOc1ccccc1 | InChi: | InChI=1S/C22H22F3N5O2/c1-16-26-28-30(27-16)15-18-14-19(22(23,24)25)10-8-17(18)9-11-21(31)29(2)12-13-32-20-6-4-3-5-7-20/h3-11,14H,12-13,15H2,1-2H3 | Definition date: | 2023-06-08 | Last modified: | 2024-12-13 | Release date: | 2024-12-18 | Identifier: | (2E)-N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-(2-phenoxyethyl)prop-2-enamide |
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