 | | Y8E | | Name: | (1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide | | Formula: | C21 H23 Cl N4 O4 | | SMILES: | COCCNC(=O)c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C | | InChi: | InChI=1S/C21H23ClN4O4/c1-13-9-18(30-12-19-24-25-21(28)26(19)2)16(11-17(13)22)14-5-4-6-15(10-14)20(27)23-7-8-29-3/h4-6,9-11H,7-8,12H2,1-3H3,(H,23,27)(H,25,28) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide |
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 | | Y8K | | Name: | [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | | Formula: | C23 H24 F3 N3 O6 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2(C)C1)C(=O)OCc1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C23H24F3N3O6S/c1-22-13-28(20(30)16-4-8-19(9-5-16)36(27,32)33)10-17(22)11-29(14-22)21(31)34-12-15-2-6-18(7-3-15)35-23(24,25)26/h2-9,17H,10-14H2,1H3,(H2,27,32,33)/t17?,22-/m1/s1 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
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 | | YLU | | Name: | (1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide | | Formula: | C24 H24 F N7 O | | SMILES: | Cc1ncc(nc1)CNC(=O)c1cc(cc(c1)n1nnnc1CCC)c1ccc(C)cc1F | | InChi: | InChI=1S/C24H24FN7O/c1-4-5-23-29-30-31-32(23)20-10-17(21-7-6-15(2)8-22(21)25)9-18(11-20)24(33)28-14-19-13-26-16(3)12-27-19/h6-13H,4-5,14H2,1-3H3,(H,28,33) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide |
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 | | Y8N | | Name: | BBO-8520 (bound form) | | Formula: | C35 H35 F6 N7 O2 S | | SMILES: | CCC(=O)N1CC(C)N(CC1C)c1nc(OCC23CCCN3CC(F)C2)nc2c1cc(c(c1ccc(F)c3sc(N)c(C#N)c13)c2F)C(F)(F)F | | InChi: | InChI=1S/C35H35F6N7O2S/c1-4-25(49)47-13-18(3)48(14-17(47)2)32-21-10-23(35(39,40)41)27(20-6-7-24(37)30-26(20)22(12-42)31(43)51-30)28(38)29(21)44-33(45-32)50-16-34-8-5-9-46(34)15-19(36)11-34/h6-7,10,17-19H,4-5,8-9,11,13-16,43H2,1-3H3/t17-,18+,19-,34+/m1/s1 | | Synonyms: | (4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile | | Definition date: | 2023-11-28 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile |
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 | | Y8Q | | Name: | (3R)-3-{2-[2-methoxy-6-({methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amino}methyl)phenoxy]acetamido}-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide | | Formula: | C27 H31 F3 N4 O4 S | | SMILES: | Cc1csc(CN(C)Cc2cccc(OC)c2OCC(=O)NC(CC(=O)NC)c2cccc(c2)C(F)(F)F)n1 | | InChi: | InChI=1S/C27H31F3N4O4S/c1-17-16-39-25(32-17)14-34(3)13-19-8-6-10-22(37-4)26(19)38-15-24(36)33-21(12-23(35)31-2)18-7-5-9-20(11-18)27(28,29)30/h5-11,16,21H,12-15H2,1-4H3,(H,31,35)(H,33,36) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3R)-3-{2-[2-methoxy-6-({methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amino}methyl)phenoxy]acetamido}-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide |
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 | | Y8U | | Name: | tert-butyl (5S,8M,12aR)-8-(4-chloro-2-fluorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxylate | | Formula: | C23 H23 Cl F N3 O4 | | SMILES: | Clc1ccc(c(F)c1)c1ccc2NC(=O)C3CN(CCN3C(=O)c2c1)C(=O)OC(C)(C)C | | InChi: | InChI=1S/C23H23ClFN3O4/c1-23(2,3)32-22(31)27-8-9-28-19(12-27)20(29)26-18-7-4-13(10-16(18)21(28)30)15-6-5-14(24)11-17(15)25/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,26,29)/t19-/m1/s1 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | tert-butyl (5S,8M,12aR)-8-(4-chloro-2-fluorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxylate |
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 | | Y8Z | | Name: | N-[(1R,3R)-3-{(2S)-2-benzyl-4-[2-(methylamino)-2-oxoethyl]-3-oxopiperazine-1-carbonyl}cyclopentyl]-4-chloro-3-(trifluoromethyl)benzamide | | Formula: | C28 H30 Cl F3 N4 O4 | | SMILES: | O=C(C1CCC(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)C1)N1CCN(CC(=O)NC)C(=O)C1Cc1ccccc1 | | InChi: | InChI=1S/C28H30ClF3N4O4/c1-33-24(37)16-35-11-12-36(23(27(35)40)13-17-5-3-2-4-6-17)26(39)19-7-9-20(14-19)34-25(38)18-8-10-22(29)21(15-18)28(30,31)32/h2-6,8,10,15,19-20,23H,7,9,11-14,16H2,1H3,(H,33,37)(H,34,38)/t19-,20-,23?/m1/s1 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[(1R,3R)-3-{(2S)-2-benzyl-4-[2-(methylamino)-2-oxoethyl]-3-oxopiperazine-1-carbonyl}cyclopentyl]-4-chloro-3-(trifluoromethyl)benzamide |
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 | | Y9C | | Name: | (2E)-1-[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | | Formula: | C25 H22 F3 N5 O3 | | SMILES: | FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C25H22F3N5O3/c26-25(27,28)36-16-5-1-14(2-6-16)3-8-23(34)32-10-17-18(11-32)20-13-33(12-19(17)20)24(35)15-4-7-21-22(9-15)30-31-29-21/h1-9,17-20H,10-13H2,(H,29,30,31)/b8-3+/t17-,18+,19+,20- | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2E)-1-[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
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 | | Y9F | | Name: | 5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)methoxy]benzonitrile | | Formula: | C17 H21 N3 O2 | | SMILES: | CC(C)(C)c1cc(C#N)c(C)cc1OCC=1CCC(=O)NN=1 | | InChi: | InChI=1S/C17H21N3O2/c1-11-7-15(14(17(2,3)4)8-12(11)9-18)22-10-13-5-6-16(21)20-19-13/h7-8H,5-6,10H2,1-4H3,(H,20,21) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)methoxy]benzonitrile |
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 | | Y9I | | Name: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(5-methylpyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine | | Formula: | C20 H19 Cl N6 | | SMILES: | Clc1ccc2CC(Cc2c1)Nc1ncc2CN(Cc2n1)c1ncc(C)cn1 | | InChi: | InChI=1S/C20H19ClN6/c1-12-7-23-20(24-8-12)27-10-15-9-22-19(26-18(15)11-27)25-17-5-13-2-3-16(21)4-14(13)6-17/h2-4,7-9,17H,5-6,10-11H2,1H3,(H,22,25,26)/t17-/m0/s1 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(5-methylpyrimidin-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine |
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 | | Y9L | | Name: | [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | | Formula: | C22 H19 F3 N4 O6 | | SMILES: | FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)c1ccc2NC(=O)Oc2n1 | | InChi: | InChI=1S/C22H19F3N4O6/c23-22(24,25)35-15-3-1-12(2-4-15)11-33-21(32)29-9-13-7-28(8-14(13)10-29)19(30)17-6-5-16-18(26-17)34-20(31)27-16/h1-6,13-14H,7-11H2,(H,27,31) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
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 | | YMU | | Name: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine | | Formula: | C18 H19 Cl N4 O3 S | | SMILES: | O=S(=O)(N1Cc2nc(NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1 | | InChi: | InChI=1S/C18H19ClN4O3S/c19-14-2-1-11-4-15(5-12(11)3-14)21-18-20-6-13-7-23(8-17(13)22-18)27(24,25)16-9-26-10-16/h1-3,6,15-16H,4-5,7-10H2,(H,20,21,22)/t15-/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine |
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 | | Y9O | | Name: | 5-({[(1M)-5-chloro-4-methyl-3'-(morpholine-4-carbonyl)[1,1'-biphenyl]-2-yl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C22 H23 Cl N4 O4 | | SMILES: | O=C(c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C)N1CCOCC1 | | InChi: | InChI=1S/C22H23ClN4O4/c1-14-10-19(31-13-20-24-25-22(29)26(20)2)17(12-18(14)23)15-4-3-5-16(11-15)21(28)27-6-8-30-9-7-27/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,29) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-({[(1M)-5-chloro-4-methyl-3'-(morpholine-4-carbonyl)[1,1'-biphenyl]-2-yl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | Y9S | | Name: | [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(6-sulfamoylpyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | | Formula: | C21 H21 F3 N4 O6 S | | SMILES: | NS(=O)(=O)c1ccc(cn1)C(=O)N1CC2CN(CC2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C21H21F3N4O6S/c22-21(23,24)34-17-4-1-13(2-5-17)12-33-20(30)28-10-15-8-27(9-16(15)11-28)19(29)14-3-6-18(26-7-14)35(25,31)32/h1-7,15-16H,8-12H2,(H2,25,31,32) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(6-sulfamoylpyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
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 | | Y9V | | Name: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine | | Formula: | C16 H14 Cl N5 O | | SMILES: | Cc1nc(on1)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1 | | InChi: | InChI=1S/C16H14ClN5O/c1-9-20-15(23-22-9)12-7-18-16(19-8-12)21-14-5-10-2-3-13(17)4-11(10)6-14/h2-4,7-8,14H,5-6H2,1H3,(H,18,19,21) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine |
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 | | YN2 | | Name: | 4-{(1E)-3-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-oxoprop-1-en-1-yl}benzonitrile | | Formula: | C25 H24 N6 O2 | | SMILES: | N#Cc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C25H24N6O2/c26-14-18-3-1-17(2-4-18)5-8-24(32)30-11-9-20-15-31(16-21(20)10-12-30)25(33)19-6-7-22-23(13-19)28-29-27-22/h1-8,13,20-21H,9-12,15-16H2,(H,27,28,29) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-{(1E)-3-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-oxoprop-1-en-1-yl}benzonitrile |
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 | | YN6 | | Name: | (2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide | | Formula: | C12 H12 N4 O3 S | | SMILES: | NC(=O)C1CCN1C(=O)COc1cccc2nsnc12 | | InChi: | InChI=1S/C12H12N4O3S/c13-12(18)8-4-5-16(8)10(17)6-19-9-3-1-2-7-11(9)15-20-14-7/h1-3,8H,4-6H2,(H2,13,18) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide |
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 | | YA0 | | Name: | (5Z)-5-[(4-phenoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one | | Formula: | C20 H18 N2 O2 S | | SMILES: | O=C1N=C(SC1=C/c1ccc(Oc2ccccc2)cc1)N1CCCC1 | | InChi: | InChI=1S/C20H18N2O2S/c23-19-18(25-20(21-19)22-12-4-5-13-22)14-15-8-10-17(11-9-15)24-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (5Z)-5-[(4-phenoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one |
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 | | YNB | | Name: | [2-methyl-4-(trifluoromethoxy)phenyl]methyl (8R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate | | Formula: | C22 H22 F3 N7 O4 | | SMILES: | FC(F)(F)Oc1ccc(COC(=O)N2Cc3cc(nn3CC2)C(=O)N2CCc3[NH]nnc3C2)c(C)c1 | | InChi: | InChI=1S/C22H22F3N7O4/c1-13-8-16(36-22(23,24)25)3-2-14(13)12-35-21(34)31-6-7-32-15(10-31)9-18(28-32)20(33)30-5-4-17-19(11-30)27-29-26-17/h2-3,8-9H,4-7,10-12H2,1H3,(H,26,27,29) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [2-methyl-4-(trifluoromethoxy)phenyl]methyl (8R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate |
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 | | YA8 | | Name: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone | | Formula: | C26 H22 Br N5 O2 | | SMILES: | Brc1ccc2cc(ccc2c1)C(=O)N1CC2C(C1)C1CN(CC21)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C26H22BrN5O2/c27-18-5-3-14-7-16(2-1-15(14)8-18)25(33)31-10-19-20(11-31)22-13-32(12-21(19)22)26(34)17-4-6-23-24(9-17)29-30-28-23/h1-9,19-22H,10-13H2,(H,28,29,30)/t19-,20+,21+,22- | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](6-bromonaphthalen-2-yl)methanone |
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 | | YAB | | Name: | (8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2S)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine | | Formula: | C18 H19 Cl N4 O | | SMILES: | Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21 | | InChi: | InChI=1S/C18H19ClN4O/c1-12-9-17(20-10-15-3-2-8-24-15)23-18(22-12)16(11-21-23)13-4-6-14(19)7-5-13/h4-7,9,11,15,20H,2-3,8,10H2,1H3 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2S)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine |
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 | | YNI | | Name: | 5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile | | Formula: | C21 H22 Cl N5 O2 | | SMILES: | Cn1c(cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C)c1cc(OC)ncn1 | | InChi: | InChI=1S/C21H22ClN5O2/c1-21(2,3)14-6-13(9-23)15(22)7-18(14)29-11-19-24-10-17(27(19)4)16-8-20(28-5)26-12-25-16/h6-8,10,12H,11H2,1-5H3 | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-tert-butyl-2-chloro-4-{[(5M)-5-(6-methoxypyrimidin-4-yl)-1-methyl-1H-imidazol-2-yl]methoxy}benzonitrile |
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 | | YAI | | Name: | 4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-carbonyl]benzene-1-sulfonamide | | Formula: | C24 H26 F3 N7 O4 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | | InChi: | InChI=1S/C24H26F3N7O4S/c1-16-29-31-34(30-16)15-19-14-20(24(25,26)27)6-2-17(19)5-9-22(35)32-10-12-33(13-11-32)23(36)18-3-7-21(8-4-18)39(28,37)38/h2-4,6-8,14H,5,9-13,15H2,1H3,(H2,28,37,38) | | Definition date: | 2023-06-12 | | 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-carbonyl]benzene-1-sulfonamide |
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 | | YNN | | Name: | 7-[(2R)-3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid | | Formula: | C27 H30 O9 | | SMILES: | CC(=O)c1ccc(OCC(O)COc2ccc3c(OC(=CC3=O)C(=O)O)c2CCC)c(CCC)c1O | | InChi: | InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 7-[(2R)-3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid |
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 | | YNO | | Name: | 5-bromanyl-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-chloranyl-1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-oxan-2-yl]sulfanyl-pyridine-2-carbonitrile | | Formula: | C18 H16 Br Cl N6 O4 S2 | | SMILES: | CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3scc(Cl)n3)Sc4cc(Br)cnc4C#N | | InChi: | InChI=1S/C18H16BrClN6O4S2/c1-29-16-14(26-5-10(24-25-26)17-23-13(20)7-31-17)15(28)11(6-27)30-18(16)32-12-2-8(19)4-22-9(12)3-21/h2,4-5,7,11,14-16,18,27-28H,6H2,1H3/t11-,14+,15+,16-,18-/m1/s1 | | Definition date: | 2023-12-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-bromanyl-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-chloranyl-1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-oxan-2-yl]sulfanyl-pyridine-2-carbonitrile |
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