 | | A1A0O | | Name: | 1-deoxy-1-(morpholin-4-yl)-D-fructose | | Formula: | C10 H19 N O6 | | SMILES: | O=C(CN1CCOCC1)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C10H19NO6/c12-6-8(14)10(16)9(15)7(13)5-11-1-3-17-4-2-11/h8-10,12,14-16H,1-6H2/t8-,9-,10-/m1/s1 | | Synonyms: | 1-Deoxy-1-morpholino-D-fructose | | Definition date: | 2024-08-01 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-deoxy-1-(morpholin-4-yl)-D-fructose |
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 | | X82 | | Name: | (2E)-1-[(3aR,8aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | | Formula: | C25 H28 F3 N5 O3 | | SMILES: | FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)C1CCc2[NH]nnc2C1 | | InChi: | InChI=1S/C25H28F3N5O3/c26-25(27,28)36-20-5-1-16(2-6-20)3-8-23(34)32-11-9-18-14-33(15-19(18)10-12-32)24(35)17-4-7-21-22(13-17)30-31-29-21/h1-3,5-6,8,17-19H,4,7,9-15H2,(H,29,30,31) | | Definition date: | 2023-06-05 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2E)-1-[(3aR,8aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
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 | | XF9 | | Name: | [3-chloro-5-(methanesulfonyl)phenyl]methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate | | Formula: | C24 H26 Cl N5 O5 S | | SMILES: | CS(=O)(=O)c1cc(cc(Cl)c1)COC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C24H26ClN5O5S/c1-36(33,34)20-9-15(8-19(25)11-20)14-35-24(32)29-6-4-17-12-30(13-18(17)5-7-29)23(31)16-2-3-21-22(10-16)27-28-26-21/h2-3,8-11,17-18H,4-7,12-14H2,1H3,(H,26,27,28) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [3-chloro-5-(methanesulfonyl)phenyl]methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate |
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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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 | | 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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 | | 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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 | | XRC | | Name: | 2-(3,4-dichlorophenyl)-1-{4-[(4-fluorophenyl)methyl]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one | | Formula: | C22 H18 Cl2 F N3 O | | SMILES: | Clc1ccc(cc1Cl)CC(=O)N1CCc2ncnc(Cc3ccc(F)cc3)c2C1 | | InChi: | InChI=1S/C22H18Cl2FN3O/c23-18-6-3-15(9-19(18)24)11-22(29)28-8-7-20-17(12-28)21(27-13-26-20)10-14-1-4-16(25)5-2-14/h1-6,9,13H,7-8,10-12H2 | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-(3,4-dichlorophenyl)-1-{4-[(4-fluorophenyl)methyl]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one |
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 | | XUO | | Name: | (1H-benzotriazol-5-yl){3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(1H)-yl}methanone | | Formula: | C26 H29 Cl N6 O2 | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1COc1n[NH]c2CCN(CCc12)C(=O)c1ccc2[NH]nnc2c1 | | InChi: | InChI=1S/C26H29ClN6O2/c1-15-11-17(19(13-20(15)27)26(2,3)4)14-35-24-18-7-9-33(10-8-21(18)28-31-24)25(34)16-5-6-22-23(12-16)30-32-29-22/h5-6,11-13H,7-10,14H2,1-4H3,(H,28,31)(H,29,30,32) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (1H-benzotriazol-5-yl){3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(1H)-yl}methanone |
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 | | XV2 | | Name: | (3aR,8aS)-N-[(1H-1,2,3-triazol-5-yl)methyl]-6-{(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carboxamide | | Formula: | C22 H25 F3 N6 O3 | | SMILES: | O=C(NCc1cnn[NH]1)N1CC2CCN(CCC2C1)C(=O)/C=C/c1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C22H25F3N6O3/c23-22(24,25)34-19-4-1-15(2-5-19)3-6-20(32)30-9-7-16-13-31(14-17(16)8-10-30)21(33)26-11-18-12-27-29-28-18/h1-6,12,16-17H,7-11,13-14H2,(H,26,33)(H,27,28,29) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3aR,8aS)-N-[(1H-1,2,3-triazol-5-yl)methyl]-6-{(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carboxamide |
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 | | Y0F | | Name: | (2E)-1-[(3aS,8aS)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | | Formula: | C24 H27 F3 N6 O3 | | SMILES: | FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)N1CCc2[NH]nnc2C1 | | InChi: | InChI=1S/C24H27F3N6O3/c25-24(26,27)36-19-4-1-16(2-5-19)3-6-22(34)31-10-7-17-13-33(14-18(17)8-11-31)23(35)32-12-9-20-21(15-32)29-30-28-20/h1-6,17-18H,7-15H2,(H,28,29,30) | | Definition date: | 2023-06-09 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (2E)-1-[(3aS,8aS)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
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 | | Y1F | | Name: | [(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone | | Formula: | C30 H36 N6 O4 | | SMILES: | O=C(c1ccc2[NH]nnc2c1)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | | InChi: | InChI=1S/C30H36N6O4/c37-29(21-3-4-25-27(13-21)33-34-32-25)36-16-22-5-9-35(10-6-23(22)17-36)30(38)24-14-26(20-1-2-20)31-28(15-24)40-18-19-7-11-39-12-8-19/h3-4,13-15,19-20,22-23H,1-2,5-12,16-18H2,(H,32,33,34) | | Definition date: | 2023-06-09 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone |
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 | | Y1U | | Name: | 3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | | Formula: | C21 H19 Cl2 N5 O2 | | SMILES: | Clc1cccc(Cl)c1N1Cc2cnc(nc2N(C)C1=O)NCC(O)c1ccccc1 | | InChi: | InChI=1S/C21H19Cl2N5O2/c1-27-19-14(12-28(21(27)30)18-15(22)8-5-9-16(18)23)10-24-20(26-19)25-11-17(29)13-6-3-2-4-7-13/h2-10,17,29H,11-12H2,1H3,(H,24,25,26) | | Definition date: | 2023-06-09 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
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 | | Y2U | | Name: | 2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one | | Formula: | C18 H17 Cl N4 O2 | | SMILES: | Clc1ccc2CC(Cc2c1)Nc1nc2CN(C3COC3)C(=O)c2cn1 | | InChi: | InChI=1S/C18H17ClN4O2/c19-12-2-1-10-4-13(5-11(10)3-12)21-18-20-6-15-16(22-18)7-23(17(15)24)14-8-25-9-14/h1-3,6,13-14H,4-5,7-9H2,(H,20,21,22)/t13-/m0/s1 | | Definition date: | 2023-06-09 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one |
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 | | A1BDR | | Name: | N-{7-[(4-aminobutyl)amino]heptyl}-Nalpha-butanoyl-D-tyrosinamide | | Formula: | C24 H42 N4 O3 | | SMILES: | Oc1ccc(CC(NC(=O)CCC)C(=O)NCCCCCCCNCCCCN)cc1 | | InChi: | InChI=1S/C24H42N4O3/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-8-5-3-4-7-16-26-17-9-6-15-25/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,27,31)(H,28,30)/t22-/m1/s1 | | Definition date: | 2024-10-15 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | N-{7-[(4-aminobutyl)amino]heptyl}-Nalpha-butanoyl-D-tyrosinamide |
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 | | A1LYQ | | Name: | SAR247799 | | Formula: | C21 H16 Cl N3 O5 | | SMILES: | Cc1cc(cc(C)c1OCC(O)=O)c2oc3nc(Oc4cccc(Cl)c4)ncc3n2 | | InChi: | InChI=1S/C21H16ClN3O5/c1-11-6-13(7-12(2)18(11)28-10-17(26)27)19-24-16-9-23-21(25-20(16)30-19)29-15-5-3-4-14(22)8-15/h3-9H,10H2,1-2H3,(H,26,27) | | Synonyms: | 2-[4-[5-(3-chloranylphenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethyl-phenoxy]ethanoic acid | | Definition date: | 2024-03-04 | | Last modified: | 2024-12-06 | | Release date: | 2024-12-11 | | Identifier: | 2-[4-[5-(3-chloranylphenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethyl-phenoxy]ethanoic acid |
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 | | A1EAW | | Name: | ~{N}2,~{N}9-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]-1,10-phenanthroline-2,9-dicarboxamide | | Formula: | C34 H46 N4 O16 | | SMILES: | OC[CH]1O[CH](OCCOCCNC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)NCCOCCO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C34H46N4O16/c39-15-21-25(41)27(43)29(45)33(53-21)51-13-11-49-9-7-35-31(47)19-5-3-17-1-2-18-4-6-20(38-24(18)23(17)37-19)32(48)36-8-10-50-12-14-52-34-30(46)28(44)26(42)22(16-40)54-34/h1-6,21-22,25-30,33-34,39-46H,7-16H2,(H,35,47)(H,36,48)/t21-,22-,25-,26-,27+,28+,29+,30+,33+,34+/m1/s1 | | Synonyms: | 1,6-DI-O-PHOSPHONO-D-MANNITOL | | Definition date: | 2024-08-19 | | Last modified: | 2024-11-29 | | Release date: | 2024-12-04 | | Identifier: | ~{N}2,~{N}9-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]-1,10-phenanthroline-2,9-dicarboxamide |
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 | | A1ISA | | Name: | 5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one | | Formula: | C22 H20 N4 O2 | | SMILES: | CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccccc4OC)ncc13 | | InChi: | InChI=1S/C22H20N4O2/c1-3-15-13-20(27)26(16-9-5-4-6-10-16)21-17(15)14-23-22(25-21)24-18-11-7-8-12-19(18)28-2/h4-14H,3H2,1-2H3,(H,23,24,25) | | Definition date: | 2024-10-23 | | Last modified: | 2024-11-29 | | Release date: | 2024-12-04 | | Identifier: | 5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one |
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 | | A1LVZ | | Name: | [[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C12 H16 F I N3 O12 P3 | | SMILES: | Cc1ncnc2n(cc(I)c12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3F | | InChi: | InChI=1S/C12H16FIN3O12P3/c1-5-8-6(14)2-17(11(8)16-4-15-5)12-9(13)10(18)7(27-12)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,4,7,9-10,12,18H,3H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t7-,9+,10-,12-/m1/s1 | | Definition date: | 2024-01-10 | | Last modified: | 2024-11-29 | | Release date: | 2024-12-04 | | Identifier: | [[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | A1BFQ | | Name: | 1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol | | Formula: | C7 H8 N4 O | | SMILES: | Oc1nncc2c1n(C)nc2C | | InChi: | InChI=1S/C7H8N4O/c1-4-5-3-8-9-7(12)6(5)11(2)10-4/h3H,1-2H3,(H,9,12) | | Definition date: | 2024-11-04 | | Last modified: | 2024-11-22 | | Release date: | 2024-11-27 | | Identifier: | 1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol |
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 | | A1H0W | | Name: | 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine | | Formula: | C9 H11 N5 O | | SMILES: | COc1ccc2[nH]c(NC(N)=N)nc2c1 | | InChi: | InChI=1S/C9H11N5O/c1-15-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14) | | Synonyms: | O-PHOSPHONO-D-THREONINE | | Definition date: | 2023-12-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine |
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 | | K5O | | Name: | Ziftomenib | | Formula: | C33 H42 F3 N9 O2 S2 | | SMILES: | CS(=O)(=O)N1CCN(CC1)C(C)Cn1c2ccc(CN3CCC(CC3)Nc3nc(nc4sc(cc34)CC(F)(F)F)NC)c(C)c2cc1C#N | | InChi: | InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1 | | Definition date: | 2023-06-02 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 1-{(2S)-2-[4-(methanesulfonyl)piperazin-1-yl]propyl}-4-methyl-5-[(4-{[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
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 | | YKQ | | Name: | Abivertinib | | Formula: | C26 H26 F N7 O2 | | SMILES: | CN1CCN(CC1)c2ccc(Nc3nc4[nH]ccc4c(Oc5cccc(NC(=O)C=C)c5)n3)cc2F | | InChi: | InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32) | | Synonyms: | ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide | | Definition date: | 2023-12-05 | | Last modified: | 2024-11-11 | | Release date: | 2024-10-30 | | Identifier: | ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide |
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 | | 6IL | | Name: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide | | Formula: | C23 H20 F N5 O S2 | | SMILES: | Fc1cc2scnc2cc1Nc3ncnc4sc(cc34)C5=CC[CH](CC5)NC(=O)C6CC6 | | InChi: | InChI=1S/C23H20FN5OS2/c24-16-8-20-18(27-11-31-20)9-17(16)29-21-15-7-19(32-23(15)26-10-25-21)12-3-5-14(6-4-12)28-22(30)13-1-2-13/h3,7-11,13-14H,1-2,4-6H2,(H,28,30)(H,25,26,29)/t14-/m0/s1 | | Definition date: | 2023-02-09 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide |
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 | | XGB | | Name: | 6-bromo-1H-benzo[d]imidazol-2-amine | | Formula: | C7 H6 Br N3 | | SMILES: | Nc1[nH]c2cc(Br)ccc2n1 | | InChi: | InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11) | | Synonyms: | 6-bromanyl-1H-benzimidazol-2-amine | | Definition date: | 2023-11-01 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 6-bromanyl-1~{H}-benzimidazol-2-amine |
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