 | A1D7V | 表記: | (~{N}~{Z})-~{N}-[2-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]ethylidene]hydroxylamine | 組成式: | C15 H18 N2 O | SMILES: | CC(C)=CCc1ccc2c(CC=NO)c[nH]c2c1 | InChi: | InChI=1S/C15H18N2O/c1-11(2)3-4-12-5-6-14-13(7-8-17-18)10-16-15(14)9-12/h3,5-6,8-10,16,18H,4,7H2,1-2H3/b17-8- | 定義日: | 2024-04-12 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | (~{N}~{Z})-~{N}-[2-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]ethylidene]hydroxylamine |
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 | A1EEE | 表記: | (6~{S},9~{a}~{S})-6-(3-azidopropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide | 組成式: | C26 H30 F3 N7 O3 | SMILES: | FC(F)(F)CCCNC(=O)N1CCC(=O)N2[CH]1CN(Cc3cccc4ccccc34)C(=O)[CH]2CCCN=[N+]=[N-] | InChi: | InChI=1S/C26H30F3N7O3/c27-26(28,29)12-5-13-31-25(39)35-15-11-23(37)36-21(10-4-14-32-33-30)24(38)34(17-22(35)36)16-19-8-3-7-18-6-1-2-9-20(18)19/h1-3,6-9,21-22H,4-5,10-17H2,(H,31,39)/t21-,22+/m0/s1 | 定義日: | 2024-10-20 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | (6~{S},9~{a}~{S})-6-(3-azidopropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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 | A1EEF | 表記: | (6~{S},9~{a}~{S})-6-(1~{H}-imidazol-5-ylmethyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide | 組成式: | C30 H30 N6 O3 | SMILES: | O=C1CCN([CH]2CN(Cc3cccc4ccccc34)C(=O)[CH](Cc5[nH]cnc5)N12)C(=O)NCc6ccccc6 | InChi: | InChI=1S/C30H30N6O3/c37-28-13-14-35(30(39)32-16-21-7-2-1-3-8-21)27-19-34(18-23-11-6-10-22-9-4-5-12-25(22)23)29(38)26(36(27)28)15-24-17-31-20-33-24/h1-12,17,20,26-27H,13-16,18-19H2,(H,31,33)(H,32,39)/t26-,27+/m0/s1 | 定義日: | 2024-10-20 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | (6~{S},9~{a}~{S})-6-(1~{H}-imidazol-5-ylmethyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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 | A1EEG | 表記: | (6~{S},9~{a}~{S})-6-(2-methylpropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide | 組成式: | C30 H34 N4 O3 | SMILES: | CC(C)C[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccccc5 | InChi: | InChI=1S/C30H34N4O3/c1-21(2)17-26-29(36)32(19-24-13-8-12-23-11-6-7-14-25(23)24)20-27-33(16-15-28(35)34(26)27)30(37)31-18-22-9-4-3-5-10-22/h3-14,21,26-27H,15-20H2,1-2H3,(H,31,37)/t26-,27+/m0/s1 | 定義日: | 2024-10-20 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | (6~{S},9~{a}~{S})-6-(2-methylpropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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 | A1EEK | 表記: | (6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide | 組成式: | C28 H35 F3 N4 O4 | SMILES: | CC[CH](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F | InChi: | InChI=1S/C28H35F3N4O4/c1-4-18(2)25-26(37)33(16-19-10-11-22(39-3)21-9-6-5-8-20(19)21)17-23-34(15-12-24(36)35(23)25)27(38)32-14-7-13-28(29,30)31/h5-6,8-11,18,23,25H,4,7,12-17H2,1-3H3,(H,32,38)/t18-,23+,25-/m0/s1 | 定義日: | 2024-10-22 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | (6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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 | A1IHA | 表記: | 2-(1-adamantyl)-~{N}-[2-[2-[2-oxidanylidene-2-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptylamino]ethoxy]ethoxy]ethyl]ethanamide | 組成式: | C48 H65 N5 O6 S | SMILES: | Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)c(CCCCCCCNC(=O)COCCOCCNC(=O)CC56CC7CC(CC(C7)C5)C6)nc3c2 | InChi: | InChI=1S/C48H65N5O6S/c1-34-22-35(2)47(36(3)23-34)60(56,57)52-41-15-16-43-42(27-41)51-44(53(43)32-37-12-8-7-9-13-37)14-10-5-4-6-11-17-49-46(55)33-59-21-20-58-19-18-50-45(54)31-48-28-38-24-39(29-48)26-40(25-38)30-48/h7-9,12-13,15-16,22-23,27,38-40,52H,4-6,10-11,14,17-21,24-26,28-33H2,1-3H3,(H,49,55)(H,50,54)/t38?,39?,40?,48- | 定義日: | 2024-07-05 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | 2-(1-adamantyl)-~{N}-[2-[2-[2-oxidanylidene-2-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptylamino]ethoxy]ethoxy]ethyl]ethanamide |
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 | A1IHB | 表記: | 2-(1-adamantyl)-~{N}-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptyl]ethanamide | 組成式: | C42 H54 N4 O3 S | SMILES: | Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)c(CCCCCCCNC(=O)CC56CC7CC(CC(C7)C5)C6)nc3c2 | InChi: | InChI=1S/C42H54N4O3S/c1-29-18-30(2)41(31(3)19-29)50(48,49)45-36-15-16-38-37(23-36)44-39(46(38)28-32-12-8-7-9-13-32)14-10-5-4-6-11-17-43-40(47)27-42-24-33-20-34(25-42)22-35(21-33)26-42/h7-9,12-13,15-16,18-19,23,33-35,45H,4-6,10-11,14,17,20-22,24-28H2,1-3H3,(H,43,47)/t33?,34?,35?,42- | 定義日: | 2024-07-05 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | 2-(1-adamantyl)-~{N}-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptyl]ethanamide |
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 | A1ITA | 表記: | 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide | 組成式: | C23 H25 N9 O2 | SMILES: | CNc1nc(Nc2ccc(cc2)N3CCOCC3)c(nc1c4cncc5n(C)cnc45)C(N)=O | InChi: | InChI=1S/C23H25N9O2/c1-25-22-19(16-11-26-12-17-18(16)27-13-31(17)2)29-20(21(24)33)23(30-22)28-14-3-5-15(6-4-14)32-7-9-34-10-8-32/h3-6,11-13H,7-10H2,1-2H3,(H2,24,33)(H2,25,28,30) | 定義日: | 2024-10-29 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide |
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 | A1ITB | 表記: | 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide | 組成式: | C21 H20 F3 N9 O | SMILES: | Cn1cnc2c1cncc2c3nc(C(N)=O)c(Nc4cn(CC(F)(F)F)nc4C)nc3C5CC5 | InChi: | InChI=1S/C21H20F3N9O/c1-10-13(7-33(31-10)8-21(22,23)24)28-20-18(19(25)34)29-17(15(30-20)11-3-4-11)12-5-26-6-14-16(12)27-9-32(14)2/h5-7,9,11H,3-4,8H2,1-2H3,(H2,25,34)(H,28,30) | 定義日: | 2024-10-29 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide |
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 | A1ITC | 表記: | 6-(1-methylbenzimidazol-4-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide | 組成式: | C23 H23 N7 O2 | SMILES: | Cn1cnc2c1cccc2c3cnc(Nc4ccc(cc4)N5CCOCC5)c(n3)C(N)=O | InChi: | InChI=1S/C23H23N7O2/c1-29-14-26-20-17(3-2-4-19(20)29)18-13-25-23(21(28-18)22(24)31)27-15-5-7-16(8-6-15)30-9-11-32-12-10-30/h2-8,13-14H,9-12H2,1H3,(H2,24,31)(H,25,27) | 定義日: | 2024-10-29 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | 6-(1-methylbenzimidazol-4-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide |
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 | A1L2E | 表記: | (2~{S})-2-[(2-nitro-4-phenyl-phenyl)methyl]-2~{H}-furan-5-one | 組成式: | C17 H13 N O4 | SMILES: | O=C1O[CH](Cc2ccc(cc2[N](=O)=O)c3ccccc3)C=C1 | InChi: | InChI=1S/C17H13NO4/c19-17-9-8-15(22-17)10-14-7-6-13(11-16(14)18(20)21)12-4-2-1-3-5-12/h1-9,11,15H,10H2/t15-/m1/s1 | 定義日: | 2024-06-12 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | (2~{S})-2-[(2-nitro-4-phenyl-phenyl)methyl]-2~{H}-furan-5-one |
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 | A1H3Y | 表記: | 2-(5-phenylmethoxy-1~{H}-indol-3-yl)ethanol | 組成式: | C17 H17 N O2 | SMILES: | OCCc1c[nH]c2ccc(OCc3ccccc3)cc12 | InChi: | InChI=1S/C17H17NO2/c19-9-8-14-11-18-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,18-19H,8-9,12H2 | 定義日: | 2024-02-08 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | 2-(5-phenylmethoxy-1~{H}-indol-3-yl)ethanol |
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 | A1I1T | 表記: | N-(4-((2-fluorophenyl)(hydroxy)methyl)phenyl)acetamide | 組成式: | C15 H14 F N O2 | SMILES: | CC(=O)Nc1ccc(cc1)[CH](O)c2ccccc2F | InChi: | InChI=1S/C15H14FNO2/c1-10(18)17-12-8-6-11(7-9-12)15(19)13-4-2-3-5-14(13)16/h2-9,15,19H,1H3,(H,17,18)/t15-/m1/s1 | 別名: | ~{N}-[4-[(~{R})-(2-fluorophenyl)-oxidanyl-methyl]phenyl]ethanamide | 定義日: | 2025-02-12 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | ~{N}-[4-[(~{R})-(2-fluorophenyl)-oxidanyl-methyl]phenyl]ethanamide |
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 | A1AEE | 表記: | 2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-[2-oxo-2-({[(2P)-2-(1H-pyrazol-1-yl)phenyl]methyl}amino)ethyl]-1,3-benzothiazol-3-ium | 組成式: | C30 H26 N5 O S | SMILES: | CN1C=C/C(=Cc2sc3ccccc3[n+]2CC(=O)NCc2ccccc2n2cccn2)c2ccccc21 | InChi: | InChI=1S/C30H25N5OS/c1-33-18-15-22(24-10-3-5-12-26(24)33)19-30-34(27-13-6-7-14-28(27)37-30)21-29(36)31-20-23-9-2-4-11-25(23)35-17-8-16-32-35/h2-19H,20-21H2,1H3/p+1 | 別名: | 365A-087 | 定義日: | 2024-02-07 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | 2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-[2-oxo-2-({[(2P)-2-(1H-pyrazol-1-yl)phenyl]methyl}amino)ethyl]-1,3-benzothiazol-3-ium |
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 | A1AEF | 表記: | 3-(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium | 組成式: | C27 H23 F N3 O S | SMILES: | Fc1ccccc1CNC(=O)C[n+]1c2ccccc2sc1C=C1/C=CN(C)c2ccccc21 | InChi: | InChI=1S/C27H22FN3OS/c1-30-15-14-19(21-9-3-5-11-23(21)30)16-27-31(24-12-6-7-13-25(24)33-27)18-26(32)29-17-20-8-2-4-10-22(20)28/h2-16H,17-18H2,1H3/p+1 | 別名: | 365A-088 | 定義日: | 2024-02-07 | 最終更新日: | 2025-02-14 | 公開日: | 2025-02-19 | 識別子(ID): | 3-(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium |
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 | OLA | 表記: | OLEIC ACID | 組成式: | C18 H34 O2 | SMILES: | O=C(O)CCCCCCCC=C/CCCCCCCC | InChi: | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- | 定義日: | 1999-07-08 | 最終更新日: | 2025-02-13 | 識別子(ID): | (9Z)-octadec-9-enoic acid |
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 | VBL | 表記: | (2~{S},3~{R})-2-pentyloctane-1,3-diol | 組成式: | C13 H28 O2 | SMILES: | CCCCC[CH](O)[CH](CO)CCCCC | InChi: | InChI=1S/C13H28O2/c1-3-5-7-9-12(11-14)13(15)10-8-6-4-2/h12-15H,3-11H2,1-2H3/t12-,13+/m0/s1 | 定義日: | 2023-09-11 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | (2~{S},3~{R})-2-pentyloctane-1,3-diol |
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 | VU0 | 表記: | (1~{S},2~{R},4~{R})-2-azanylbicyclo[2.2.1]heptane-2-carboxylic acid | 組成式: | C8 H13 N O2 | SMILES: | N[C]1(C[CH]2CC[CH]1C2)C(O)=O | InChi: | InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8-/m1/s1 | 定義日: | 2023-08-18 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | (1~{S},2~{R},4~{R})-2-azanylbicyclo[2.2.1]heptane-2-carboxylic acid |
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 | YNH | 表記: | methyl 3-[2-(2,4-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate | 組成式: | C24 H31 N3 O4 | SMILES: | CCN1CCN(CC1)c2ccc(cc2NC(=O)COc3ccc(C)cc3C)C(=O)OC | InChi: | InChI=1S/C24H31N3O4/c1-5-26-10-12-27(13-11-26)21-8-7-19(24(29)30-4)15-20(21)25-23(28)16-31-22-9-6-17(2)14-18(22)3/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,25,28) | 定義日: | 2023-12-06 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | methyl 3-[2-(2,4-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate |
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 | VUC | 表記: | (2~{S})-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid | 組成式: | C13 H18 Cl2 N2 O2 | SMILES: | N[CH](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O | InChi: | InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1 | 別名: | melphalan | 定義日: | 2023-08-18 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | (2~{S})-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid |
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 | ZVA | 表記: | (6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide | 組成式: | C21 H24 F N7 O2 | SMILES: | CC(C)(O)C(F)CNC(=O)c1cnc(cc1NC(C)C)n1ncc2cc(cnc21)C#N | InChi: | InChI=1S/C21H24FN7O2/c1-12(2)28-16-6-18(29-19-14(9-27-29)5-13(7-23)8-25-19)24-10-15(16)20(30)26-11-17(22)21(3,4)31/h5-6,8-10,12,17,31H,11H2,1-4H3,(H,24,28)(H,26,30)/t17-/m1/s1 | 定義日: | 2023-04-06 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | (6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
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 | ZVD | 表記: | N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide | 組成式: | C18 H24 F2 N6 O2 | SMILES: | Fc1cncnc1Nc1cc(NC(C)C)c(cn1)C(=O)NCC(F)C(C)(C)O | InChi: | InChI=1S/C18H24F2N6O2/c1-10(2)25-13-5-15(26-16-12(19)7-21-9-24-16)22-6-11(13)17(27)23-8-14(20)18(3,4)28/h5-7,9-10,14,28H,8H2,1-4H3,(H,23,27)(H2,21,22,24,25,26)/t14-/m1/s1 | 定義日: | 2023-04-06 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
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 | ZVG | 表記: | 6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide | 組成式: | C19 H24 F N7 O2 | SMILES: | CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1NC(C)C | InChi: | InChI=1S/C19H24FN7O2/c1-11(2)26-14-5-16(27-18-24-7-12(6-21)8-25-18)22-9-13(14)17(28)23-10-15(20)19(3,4)29/h5,7-9,11,15,29H,10H2,1-4H3,(H,23,28)(H2,22,24,25,26,27)/t15-/m1/s1 | 定義日: | 2023-04-06 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | 6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
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 | A1BQY | 表記: | 1-methyl-N-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-3-carboxamide | 組成式: | C19 H20 N4 O | SMILES: | O=C(NCC1Cc2ccccc2CN1)c1nn(C)c2ccccc21 | InChi: | InChI=1S/C19H20N4O/c1-23-17-9-5-4-8-16(17)18(22-23)19(24)21-12-15-10-13-6-2-3-7-14(13)11-20-15/h2-9,15,20H,10-12H2,1H3,(H,21,24)/t15-/m0/s1 | 定義日: | 2025-01-14 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | 1-methyl-N-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-3-carboxamide |
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 | A1BV9 | 表記: | [(1'R)-1'-(4-{[(3S)-1-(3-fluoropropyl)-2,3-dihydro-1H-pyrrol-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | 組成式: | C32 H33 F N2 O3 | SMILES: | FCCCN1C=CC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 | InChi: | InChI=1S/C32H33FN2O3/c33-16-4-17-34-18-13-23(21-34)22-38-28-10-7-24(8-11-28)30-29-12-9-27(36)19-26(29)20-32(14-15-32)35(30)31(37)25-5-2-1-3-6-25/h1-3,5-13,18-19,23,30,36H,4,14-17,20-22H2/t23-,30+/m0/s1 | 定義日: | 2025-02-05 | 最終更新日: | 2025-02-07 | 公開日: | 2025-02-12 | 識別子(ID): | [(1'R)-1'-(4-{[(3S)-1-(3-fluoropropyl)-2,3-dihydro-1H-pyrrol-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
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