 | A1L8B | 表記: | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-propyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid | 組成式: | C29 H44 O6 Si | SMILES: | CCC[Si](C)(c1ccc(OC[CH](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C)c2 | InChi: | InChI=1S/C29H44O6Si/c1-7-16-36(6,25-12-14-27(22(5)18-25)35-20-29(33,8-2)9-3)24-11-13-26(21(4)17-24)34-19-23(30)10-15-28(31)32/h11-14,17-18,23,30,33H,7-10,15-16,19-20H2,1-6H3,(H,31,32)/t23-,36+/m0/s1 | 定義日: | 2025-02-27 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-propyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
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 | A1LUZ | 表記: | 2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid | 組成式: | C5 H3 N O4 S | SMILES: | OC(=O)C=C1SC(=O)NC1=O | InChi: | InChI=1S/C5H3NO4S/c7-3(8)1-2-4(9)6-5(10)11-2/h1H,(H,7,8)(H,6,9,10) | 定義日: | 2023-12-13 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid |
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 | DISEP | 表記: | DIPHOSPHOSERINE | 組成式: | C3 H9 N O9 P2 | SMILES: | N[CH](CO[P](O)(=O)O[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C3H9NO9P2/c4-2(3(5)6)1-12-15(10,11)13-14(7,8)9/h2H,1,4H2,(H,5,6)(H,10,11)(H2,7,8,9)/t2-/m0/s1 | 別名: | 2-azanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propanoic acid | 定義日: | 2024-01-22 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 2-azanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propanoic acid |
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 | Y7Q | 表記: | ~{N}-[2-(7-azanylheptyl)-1-(phenylmethyl)benzimidazol-5-yl]-2,4,6-trimethyl-benzenesulfonamide | 組成式: | C30 H38 N4 O2 S | SMILES: | Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)c(CCCCCCCN)nc3c2 | InChi: | InChI=1S/C30H38N4O2S/c1-22-18-23(2)30(24(3)19-22)37(35,36)33-26-15-16-28-27(20-26)32-29(14-10-5-4-6-11-17-31)34(28)21-25-12-8-7-9-13-25/h7-9,12-13,15-16,18-20,33H,4-6,10-11,14,17,21,31H2,1-3H3 | 定義日: | 2023-11-28 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | ~{N}-[2-(7-azanylheptyl)-1-(phenylmethyl)benzimidazol-5-yl]-2,4,6-trimethyl-benzenesulfonamide |
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 | Y8B | 表記: | 2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide | 組成式: | C23 H23 N3 O2 S | SMILES: | Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)cnc3c2 | InChi: | InChI=1S/C23H23N3O2S/c1-16-11-17(2)23(18(3)12-16)29(27,28)25-20-9-10-22-21(13-20)24-15-26(22)14-19-7-5-4-6-8-19/h4-13,15,25H,14H2,1-3H3 | 定義日: | 2023-11-28 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide |
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 | A1IZA | 表記: | (S)-Flurbiprofenoyl-CoA | 組成式: | C36 H47 F N7 O17 P3 S | SMILES: | C[CH](C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)c4ccc(c(F)c4)c5ccccc5 | InChi: | InChI=1S/C36H47FN7O17P3S/c1-20(22-9-10-23(24(37)15-22)21-7-5-4-6-8-21)35(49)65-14-13-39-26(45)11-12-40-33(48)30(47)36(2,3)17-58-64(55,56)61-63(53,54)57-16-25-29(60-62(50,51)52)28(46)34(59-25)44-19-43-27-31(38)41-18-42-32(27)44/h4-10,15,18-20,25,28-30,34,46-47H,11-14,16-17H2,1-3H3,(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t20-,25+,28+,29+,30-,34+/m0/s1 | 別名: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-(3-fluoranyl-4-phenyl-phenyl)propanethioate | 定義日: | 2025-01-22 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-(3-fluoranyl-4-phenyl-phenyl)propanethioate |
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 | A1IZB | 表記: | (S)-2-methyldecanoyl-CoA | 組成式: | C32 H56 N7 O17 P3 S | SMILES: | CCCCCCCC[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C32H56N7O17P3S/c1-5-6-7-8-9-10-11-20(2)31(44)60-15-14-34-22(40)12-13-35-29(43)26(42)32(3,4)17-53-59(50,51)56-58(48,49)52-16-21-25(55-57(45,46)47)24(41)30(54-21)39-19-38-23-27(33)36-18-37-28(23)39/h18-21,24-26,30,41-42H,5-17H2,1-4H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20-,21-,24+,25+,26-,30+/m0/s1 | 別名: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-methyldecanethioate | 定義日: | 2025-01-22 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-methyldecanethioate |
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 | A1IZD | 表記: | (S)-ketoprofenoyl-CoA | 組成式: | C37 H48 N7 O18 P3 S | SMILES: | C[CH](C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)c4cccc(c4)C(=O)c5ccccc5 | InChi: | InChI=1S/C37H48N7O18P3S/c1-21(23-10-7-11-24(16-23)28(46)22-8-5-4-6-9-22)36(50)66-15-14-39-26(45)12-13-40-34(49)31(48)37(2,3)18-59-65(56,57)62-64(54,55)58-17-25-30(61-63(51,52)53)29(47)35(60-25)44-20-43-27-32(38)41-19-42-33(27)44/h4-11,16,19-21,25,29-31,35,47-48H,12-15,17-18H2,1-3H3,(H,39,45)(H,40,49)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t21-,25-,29+,30+,31-,35+/m0/s1 | 別名: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-[3-(phenylcarbonyl)phenyl]propanethioate | 定義日: | 2025-01-22 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-[3-(phenylcarbonyl)phenyl]propanethioate |
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 | A1L2A | 表記: | 2-methyl-5-(4-methylpiperazin-1-yl)-~{N}-(1-quinolin-4-ylcyclopropyl)benzamide | 組成式: | C25 H28 N4 O | SMILES: | CN1CCN(CC1)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccnc5ccccc45 | InChi: | InChI=1S/C25H28N4O/c1-18-7-8-19(29-15-13-28(2)14-16-29)17-21(18)24(30)27-25(10-11-25)22-9-12-26-23-6-4-3-5-20(22)23/h3-9,12,17H,10-11,13-16H2,1-2H3,(H,27,30) | 定義日: | 2024-06-06 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 2-methyl-5-(4-methylpiperazin-1-yl)-~{N}-(1-quinolin-4-ylcyclopropyl)benzamide |
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 | A1L7Y | 表記: | (4~{S})-5-[2-chloranyl-4-[[3-chloranyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid | 組成式: | C25 H34 Cl2 O6 Si | SMILES: | CCC(O)(CC)COc1ccc(cc1Cl)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)c(Cl)c2 | InChi: | InChI=1S/C25H34Cl2O6Si/c1-5-25(31,6-2)16-33-23-11-9-19(14-21(23)27)34(3,4)18-8-10-22(20(26)13-18)32-15-17(28)7-12-24(29)30/h8-11,13-14,17,28,31H,5-7,12,15-16H2,1-4H3,(H,29,30)/t17-/m0/s1 | 定義日: | 2025-02-26 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (4~{S})-5-[2-chloranyl-4-[[3-chloranyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid |
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 | A1ICB | 表記: | (2S,4S)-4-[(2-chloranyl-5-methyl-phenyl)carbonylamino]pyrrolidine-2-carboxylic acid | 組成式: | C13 H15 Cl N2 O3 | SMILES: | Cc1ccc(Cl)c(c1)C(=O)N[CH]2CN[CH](C2)C(O)=O | InChi: | InChI=1S/C13H15ClN2O3/c1-7-2-3-10(14)9(4-7)12(17)16-8-5-11(13(18)19)15-6-8/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)(H,18,19)/t8-,11-/m0/s1 | 定義日: | 2024-05-21 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (2~{S},4~{S})-4-[(2-chloranyl-5-methyl-phenyl)carbonylamino]pyrrolidine-2-carboxylic acid |
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 | A1IIO | 表記: | 5-chloranylpyrazine-2-carbonitrile | 組成式: | C5 H2 Cl N3 | SMILES: | Clc1cnc(cn1)C#N | InChi: | InChI=1S/C5H2ClN3/c6-5-3-8-4(1-7)2-9-5/h2-3H | 別名: | 2-chloro-5-cyanopyrazine | 定義日: | 2024-07-17 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 5-chloranylpyrazine-2-carbonitrile |
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 | A1IJS | 表記: | methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate | 組成式: | C11 H12 N2 O3 | SMILES: | COC(=O)C[CH]1N(C)C(=O)c2ncccc12 | InChi: | InChI=1S/C11H12N2O3/c1-13-8(6-9(14)16-2)7-4-3-5-12-10(7)11(13)15/h3-5,8H,6H2,1-2H3/t8-/m0/s1 | 定義日: | 2024-08-01 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate |
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 | A1A5A | 表記: | (2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol | 組成式: | C15 H16 N4 O | SMILES: | OCC(Cc1ccccc1)Nc1ncnc2[NH]ccc21 | InChi: | InChI=1S/C15H16N4O/c20-9-12(8-11-4-2-1-3-5-11)19-15-13-6-7-16-14(13)17-10-18-15/h1-7,10,12,20H,8-9H2,(H2,16,17,18,19)/t12-/m1/s1 | 定義日: | 2024-09-09 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol |
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 | A1A5B | 表記: | 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid | 組成式: | C13 H9 N O5 S | SMILES: | O=C(Nc1ccsc1C(=O)O)c1ccc2OCOc2c1 | InChi: | InChI=1S/C13H9NO5S/c15-12(14-8-3-4-20-11(8)13(16)17)7-1-2-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,14,15)(H,16,17) | 定義日: | 2024-09-09 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid |
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 | A1A6P | 表記: | (3R,5R)-5-(hydroxymethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol | 組成式: | C11 H14 N4 O2 | SMILES: | OCC1CC(O)CN1c1ncnc2[NH]ccc12 | InChi: | InChI=1S/C11H14N4O2/c16-5-7-3-8(17)4-15(7)11-9-1-2-12-10(9)13-6-14-11/h1-2,6-8,16-17H,3-5H2,(H,12,13,14)/t7-,8-/m1/s1 | 定義日: | 2024-09-13 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (3R,5R)-5-(hydroxymethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol |
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 | A1A6Q | 表記: | (3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol | 組成式: | C10 H12 N4 O2 | SMILES: | OC1COCC1Nc1ncnc2[NH]ccc12 | InChi: | InChI=1S/C10H12N4O2/c15-8-4-16-3-7(8)14-10-6-1-2-11-9(6)12-5-13-10/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13,14)/t7-,8-/m0/s1 | 定義日: | 2024-09-13 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol |
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 | A1A6V | 表記: | 1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol | 組成式: | C12 H16 N4 O | SMILES: | OC1(CCC1)CNc1ncnc2[NH]cc(C)c21 | InChi: | InChI=1S/C12H16N4O/c1-8-5-13-10-9(8)11(16-7-15-10)14-6-12(17)3-2-4-12/h5,7,17H,2-4,6H2,1H3,(H2,13,14,15,16) | 定義日: | 2024-09-16 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol |
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 | A1A9R | 表記: | (2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-2-yl)propan-1-ol | 組成式: | C12 H13 N5 O S | SMILES: | OCC(Nc1ncnc2[NH]ccc12)Cc1nccs1 | InChi: | InChI=1S/C12H13N5OS/c18-6-8(5-10-13-3-4-19-10)17-12-9-1-2-14-11(9)15-7-16-12/h1-4,7-8,18H,5-6H2,(H2,14,15,16,17)/t8-/m0/s1 | 定義日: | 2024-09-24 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-2-yl)propan-1-ol |
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 | A1BAA | 表記: | 2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol | 組成式: | C12 H18 N4 O | SMILES: | CCC(CC)(CO)Nc1ncnc2[NH]ccc21 | InChi: | InChI=1S/C12H18N4O/c1-3-12(4-2,7-17)16-11-9-5-6-13-10(9)14-8-15-11/h5-6,8,17H,3-4,7H2,1-2H3,(H2,13,14,15,16) | 定義日: | 2024-09-24 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol |
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 | A1BAB | 表記: | (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol | 組成式: | C17 H18 N4 O | SMILES: | OCC(Nc1ncnc2[NH]ccc21)C1CCc2ccccc21 | InChi: | InChI=1S/C17H18N4O/c22-9-15(13-6-5-11-3-1-2-4-12(11)13)21-17-14-7-8-18-16(14)19-10-20-17/h1-4,7-8,10,13,15,22H,5-6,9H2,(H2,18,19,20,21)/t13-,15+/m1/s1 | 定義日: | 2024-09-24 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol |
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 | A1BAE | 表記: | (2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol | 組成式: | C14 H15 N5 O | SMILES: | OCC(Cc1ccccn1)Nc1ncnc2[NH]ccc21 | InChi: | InChI=1S/C14H15N5O/c20-8-11(7-10-3-1-2-5-15-10)19-14-12-4-6-16-13(12)17-9-18-14/h1-6,9,11,20H,7-8H2,(H2,16,17,18,19)/t11-/m0/s1 | 定義日: | 2024-09-24 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol |
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 | A1BBY | 表記: | (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol | 組成式: | C10 H14 N4 O | SMILES: | CC(O)C(C)Nc1ncnc2[NH]ccc21 | InChi: | InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1 | 定義日: | 2024-10-01 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol |
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 | A1BCE | 表記: | (1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol | 組成式: | C13 H18 N4 O2 | SMILES: | OC1CCC(O)(CC1)CNc1ncnc2[NH]ccc21 | InChi: | InChI=1S/C13H18N4O2/c18-9-1-4-13(19,5-2-9)7-15-12-10-3-6-14-11(10)16-8-17-12/h3,6,8-9,18-19H,1-2,4-5,7H2,(H2,14,15,16,17)/t9-,13- | 定義日: | 2024-10-03 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | (1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol |
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 | A1D87 | 表記: | 6-[(6-chloranyl-2-propan-2-yl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione | 組成式: | C25 H22 Cl F3 N8 O2 | SMILES: | CC(C)n1cc2cc(NC3=CC(=O)N(Cc4ncn(C)n4)C(=O)N3Cc5cc(F)c(F)cc5F)c(Cl)cc2n1 | InChi: | InChI=1S/C25H22ClF3N8O2/c1-13(2)37-10-15-5-21(16(26)6-20(15)32-37)31-23-8-24(38)36(11-22-30-12-34(3)33-22)25(39)35(23)9-14-4-18(28)19(29)7-17(14)27/h4-8,10,12-13,31H,9,11H2,1-3H3 | 定義日: | 2024-06-12 | 最終更新日: | 2025-06-06 | 公開日: | 2025-06-11 | 識別子(ID): | 6-[(6-chloranyl-2-propan-2-yl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione |
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