 | | A1D8A | | 表記: | [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[(2S,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | | 組成式: | C15 H24 N5 O17 P3 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O | | InChi: | InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(34-14)2-33-40(30,31)37-39(27,28)29)36-15-10(23)8(21)5(35-15)1-32-38(24,25)26/h3-6,8-11,14-15,21-23H,1-2H2,(H,30,31)(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 | | 定義日: | 2024-05-15 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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 | | XFB | | 表記: | SKI-O-592 | | 組成式: | C25 H27 N7 O3 | | SMILES: | Cn1cc(C(=O)C2CC2)c3cc(Nc4nccc(n4)n5cc(CN6C[CH](O)CO6)c(C)n5)ccc13 | | InChi: | InChI=1S/C25H27N7O3/c1-15-17(10-31-12-19(33)14-35-31)11-32(29-15)23-7-8-26-25(28-23)27-18-5-6-22-20(9-18)21(13-30(22)2)24(34)16-3-4-16/h5-9,11,13,16,19,33H,3-4,10,12,14H2,1-2H3,(H,26,27,28)/t19-/m0/s1 | | 別名: | cyclopropyl-[1-methyl-5-[[4-[3-methyl-4-[[(4S)-4-oxidanyl-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone | | 定義日: | 2023-11-01 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | cyclopropyl-[1-methyl-5-[[4-[3-methyl-4-[[(4~{S})-4-oxidanyl-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone |
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 | | A1EEB | | 表記: | 6-fluoranyl-1,2-benzothiazol-3-one | | 組成式: | C7 H4 F N O S | | SMILES: | Fc1ccc2C(=O)NSc2c1 | | InChi: | InChI=1S/C7H4FNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10) | | 定義日: | 2024-10-18 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 6-fluoranyl-1,2-benzothiazol-3-one |
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 | | XI6 | | 表記: | DZNep | | 組成式: | C12 H14 N4 O3 | | SMILES: | Nc1nccc2n(cnc12)[CH]3C=C(CO)[CH](O)[CH]3O | | InChi: | InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1 | | 別名: | (1~{S},2~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol | | 定義日: | 2023-11-06 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | (1~{S},2~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol |
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 | | X5I | | 表記: | (6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one | | 組成式: | C21 H23 N5 O2 | | SMILES: | O=C1COc2ccc(nc2N1CC1CCCCCN1)c1cnc2ccccn21 | | InChi: | InChI=1S/C21H23N5O2/c27-20-14-28-18-9-8-16(17-12-23-19-7-3-5-11-25(17)19)24-21(18)26(20)13-15-6-2-1-4-10-22-15/h3,5,7-9,11-12,15,22H,1-2,4,6,10,13-14H2/t15-/m1/s1 | | 定義日: | 2023-10-23 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | (6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one |
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 | | A1H5R | | 表記: | ~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine | | 組成式: | C16 H18 N4 | | SMILES: | CCc1ccccc1N(C)c2cc3n(C)cnc3cn2 | | InChi: | InChI=1S/C16H18N4/c1-4-12-7-5-6-8-14(12)20(3)16-9-15-13(10-17-16)18-11-19(15)2/h5-11H,4H2,1-3H3 | | 定義日: | 2024-03-07 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | ~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine |
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 | | A1H6Y | | 表記: | 1-bromanyl-4-methylsulfonyl-benzene | | 組成式: | C7 H7 Br O2 S | | SMILES: | C[S](=O)(=O)c1ccc(Br)cc1 | | InChi: | InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 | | 定義日: | 2024-03-27 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 1-bromanyl-4-methylsulfonyl-benzene |
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 | | X9E | | 表記: | (4R,5S)-3-((2R,3S,4S,E)-2,6-diethyl-9-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)-3-hydroxy-4-methylnon-6-enoyl)-4-methyl-5-phenyloxazolidin-2-one | | 組成式: | C29 H43 N O5 | | SMILES: | CCC(C(O)C(C)CC(CC)=CCC[C]1(CC)O[CH]1C)C(=O)N2C(C)C(OC2=O)c3ccccc3 | | InChi: | InChI=1S/C29H43NO5/c1-7-22(14-13-17-29(9-3)21(6)35-29)18-19(4)25(31)24(8-2)27(32)30-20(5)26(34-28(30)33)23-15-11-10-12-16-23/h10-12,14-16,19-21,24-26,31H,7-9,13,17-18H2,1-6H3/b22-14-/t19?,20?,21-,24?,25?,26?,29-/m1/s1 | | 定義日: | 2023-10-25 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 3-[(~{Z})-2,6-diethyl-9-[(2~{R},3~{R})-2-ethyl-3-methyl-oxiran-2-yl]-4-methyl-3-oxidanyl-non-6-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one |
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 | | A1ICO | | 表記: | 7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one | | 組成式: | C34 H37 N7 O3 S | | SMILES: | Cn1ccc2C(=O)N(CC3(O)CCN(CC3)C(=O)[CH]4CCN(C[CH]4c5ccccc5)Cc6sc(cn6)c7ccncc7)C=Nc12 | | InChi: | InChI=1S/C34H37N7O3S/c1-38-15-9-27-31(38)37-23-41(33(27)43)22-34(44)11-17-40(18-12-34)32(42)26-10-16-39(20-28(26)24-5-3-2-4-6-24)21-30-36-19-29(45-30)25-7-13-35-14-8-25/h2-9,13-15,19,23,26,28,44H,10-12,16-18,20-22H2,1H3/t26-,28+/m1/s1 | | 定義日: | 2024-06-03 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one |
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 | | A1ICU | | 表記: | 3-[[4-oxidanyl-1-[(1~{R},2~{R})-2-phenylcyclohexyl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one | | 組成式: | C27 H31 N3 O3 | | SMILES: | OC1(CCN(CC1)C(=O)[CH]2CCCC[CH]2c3ccccc3)CN4C=Nc5ccccc5C4=O | | InChi: | InChI=1S/C27H31N3O3/c31-25(22-11-5-4-10-21(22)20-8-2-1-3-9-20)29-16-14-27(33,15-17-29)18-30-19-28-24-13-7-6-12-23(24)26(30)32/h1-3,6-9,12-13,19,21-22,33H,4-5,10-11,14-18H2/t21-,22+/m0/s1 | | 定義日: | 2024-06-04 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 3-[[4-oxidanyl-1-[(1~{R},2~{R})-2-phenylcyclohexyl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one |
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 | | A1ICV | | 表記: | 3-[[4-oxidanyl-1-[(3~{S},4~{S})-3-phenyl-1-(phenylmethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one | | 組成式: | C33 H36 N4 O3 | | SMILES: | OC1(CCN(CC1)C(=O)[CH]2CCN(C[CH]2c3ccccc3)Cc4ccccc4)CN5C=Nc6ccccc6C5=O | | InChi: | InChI=1S/C33H36N4O3/c38-31(27-15-18-35(21-25-9-3-1-4-10-25)22-29(27)26-11-5-2-6-12-26)36-19-16-33(40,17-20-36)23-37-24-34-30-14-8-7-13-28(30)32(37)39/h1-14,24,27,29,40H,15-23H2/t27-,29+/m0/s1 | | 定義日: | 2024-06-04 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 3-[[4-oxidanyl-1-[(3~{S},4~{S})-3-phenyl-1-(phenylmethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one |
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 | | A1ICW | | 表記: | 3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one | | 組成式: | C34 H38 N4 O3 | | SMILES: | OC1(CCN(CC1)C(=O)[CH]2CCN(CCc3ccccc3)C[CH]2c4ccccc4)CN5C=Nc6ccccc6C5=O | | InChi: | InChI=1S/C34H38N4O3/c39-32(37-21-17-34(41,18-22-37)24-38-25-35-31-14-8-7-13-29(31)33(38)40)28-16-20-36(19-15-26-9-3-1-4-10-26)23-30(28)27-11-5-2-6-12-27/h1-14,25,28,30,41H,15-24H2/t28-,30+/m1/s1 | | 定義日: | 2024-06-04 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one |
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 | | A1ICX | | 表記: | 3-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one | | 組成式: | C36 H38 N6 O5 S | | SMILES: | COc1cnccc1c2sc(cc2)C(=O)N3CC[CH]([CH](C3)c4ccccc4)C(=O)N5CCC(O)(CC5)CN6C=Nc7n(C)ccc7C6=O | | InChi: | InChI=1S/C36H38N6O5S/c1-39-16-11-27-32(39)38-23-42(34(27)44)22-36(46)13-18-40(19-14-36)33(43)25-12-17-41(21-28(25)24-6-4-3-5-7-24)35(45)31-9-8-30(48-31)26-10-15-37-20-29(26)47-2/h3-11,15-16,20,23,25,28,46H,12-14,17-19,21-22H2,1-2H3/t25-,28+/m1/s1 | | 定義日: | 2024-06-04 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 3-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | A1IDR | | 表記: | 6-(dimethylamino)-~{N}-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide | | 組成式: | C23 H20 N2 O4 S | | SMILES: | CN(C)c1ccc2cc(oc2c1)C(=O)N[S](=O)(=O)c3ccccc3c4ccccc4 | | InChi: | InChI=1S/C23H20N2O4S/c1-25(2)18-13-12-17-14-21(29-20(17)15-18)23(26)24-30(27,28)22-11-7-6-10-19(22)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,24,26) | | 定義日: | 2024-06-06 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 6-(dimethylamino)-~{N}-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide |
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 | | V0U | | 表記: | (2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione | | 組成式: | C26 H29 N3 O3 | | SMILES: | COc1ccc2c([nH]c3[CH](CC(C)C)N4[CH](Cc23)C(=O)N[CH](Cc5ccccc5)C4=O)c1 | | InChi: | InChI=1S/C26H29N3O3/c1-15(2)11-22-24-19(18-10-9-17(32-3)13-20(18)27-24)14-23-25(30)28-21(26(31)29(22)23)12-16-7-5-4-6-8-16/h4-10,13,15,21-23,27H,11-12,14H2,1-3H3,(H,28,30) | | 定義日: | 2023-09-07 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | (2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
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 | | A1IKR | | 表記: | tris(oxidanyl)-[(~{E})-2-phenylethenyl]boron | | 組成式: | C8 H10 B O3 | | SMILES: | O[B](O)(O)C=Cc1ccccc1 | | InChi: | InChI=1S/C8H10BO3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-7,10-12H/b7-6+ | | 定義日: | 2024-08-12 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | tris(oxidanyl)-[(~{E})-2-phenylethenyl]boron |
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 | | A1L3V | | 表記: | (7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione | | 組成式: | C27 H31 N O9 | | SMILES: | CC[C]1(O)C[CH](O[CH]2C[CH](N)[CH](O)[CH](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1 | | InChi: | InChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/t11-,14-,16-,17-,22+,27-/m0/s1 | | 定義日: | 2024-08-21 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | (7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione |
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 | | I3O | | 表記: | tert-butyl 3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate | | 組成式: | C26 H35 N3 O5 | | SMILES: | COc1ccc2c([nH]c3[CH](CC(C)C)N4[CH](Cc23)C(=O)N[CH](CCC(=O)OC(C)(C)C)C4=O)c1 | | InChi: | InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1 | | 定義日: | 2023-07-26 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate |
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 | | I3T | | 表記: | (2S,5S,8S)-14-cyclopentyloxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione | | 組成式: | C30 H35 N3 O3 | | SMILES: | CC(C)C[CH]1N2[CH](Cc3c1[nH]c4cc(OC5CCCC5)ccc34)C(=O)N[CH](Cc6ccccc6)C2=O | | InChi: | InChI=1S/C30H35N3O3/c1-18(2)14-26-28-23(22-13-12-21(16-24(22)31-28)36-20-10-6-7-11-20)17-27-29(34)32-25(30(35)33(26)27)15-19-8-4-3-5-9-19/h3-5,8-9,12-13,16,18,20,25-27,31H,6-7,10-11,14-15,17H2,1-2H3,(H,32,34)/t25-,26-,27-/m0/s1 | | 定義日: | 2023-07-26 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | (2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
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 | | JW0 | | 表記: | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid | | 組成式: | C24 H41 O7 P | | SMILES: | C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C[CH](O)[C]12C)O[P](O)(O)=O | | InChi: | InChI=1S/C24H41O7P/c1-14(4-9-22(26)27)18-7-8-19-17-6-5-15-12-16(31-32(28,29)30)10-11-23(15,2)20(17)13-21(25)24(18,19)3/h14-21,25H,4-13H2,1-3H3,(H,26,27)(H2,28,29,30)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 | | 定義日: | 2023-08-10 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
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 | | A1A2Y | | 表記: | 5-methoxy-L-tryptophan | | 組成式: | C12 H14 N2 O3 | | SMILES: | O=C(O)C(N)Cc1c[NH]c2ccc(cc21)OC | | InChi: | InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1 | | 定義日: | 2024-08-20 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | 5-methoxy-L-tryptophan |
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 | | A1A3Q | | 表記: | N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide | | 組成式: | C10 H12 N4 O | | SMILES: | CC(=O)NC(C)c1nnc2ccccn21 | | InChi: | InChI=1S/C10H12N4O/c1-7(11-8(2)15)10-13-12-9-5-3-4-6-14(9)10/h3-7H,1-2H3,(H,11,15)/t7-/m0/s1 | | 定義日: | 2024-08-29 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide |
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 | | A1A3R | | 表記: | (2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine | | 組成式: | C9 H14 Cl N3 O S | | SMILES: | CC1COC(C)CN1Cc1nnsc1Cl | | InChi: | InChI=1S/C9H14ClN3OS/c1-6-5-14-7(2)3-13(6)4-8-9(10)15-12-11-8/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1 | | 定義日: | 2024-08-29 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | (2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine |
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 | | A1A3U | | 表記: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine | | 組成式: | C10 H14 N2 | | SMILES: | CC(NC1CC1)c1cccnc1 | | InChi: | InChI=1S/C10H14N2/c1-8(12-10-4-5-10)9-3-2-6-11-7-9/h2-3,6-8,10,12H,4-5H2,1H3/t8-/m0/s1 | | 定義日: | 2024-08-29 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine |
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 | | A1A3V | | 表記: | (2R)-1-(cyclohexylamino)propan-2-ol | | 組成式: | C9 H19 N O | | SMILES: | CC(O)CNC1CCCCC1 | | InChi: | InChI=1S/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m1/s1 | | 定義日: | 2024-08-29 | | 最終更新日: | 2024-11-01 | | 公開日: | 2024-11-06 | | 識別子(ID): | (2R)-1-(cyclohexylamino)propan-2-ol |
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