| FFY | 表記: | N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine | 組成式: | C24 H25 Cl F N5 | SMILES: | n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CCNCC4)NC(C5CC5)C | InChi: | InChI=1S/C24H25ClFN5/c1-14(15-5-6-15)28-23-19-4-2-3-18(16-9-11-27-12-10-16)22(19)30-24(31-23)29-17-7-8-21(26)20(25)13-17/h2-4,7-9,13-15,27H,5-6,10-12H2,1H3,(H2,28,29,30,31)/t14-/m1/s1 | 定義日: | 2018-03-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine |
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| FGD | 表記: | N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid | 組成式: | C21 H21 N5 O6 | SMILES: | c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC(C(=O)O)CCC(=O)O)=O | InChi: | InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m1/s1 | 定義日: | 2018-03-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid |
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| FGE | 表記: | ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide | 組成式: | C14 H12 N4 O4 S2 | SMILES: | CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O | InChi: | InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19) | 定義日: | 2018-06-28 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide |
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| AWT | 表記: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine | 組成式: | C22 H23 N5 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)c4c[nH]nc4)c2cc1OC | InChi: | InChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1 | 定義日: | 2017-08-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine |
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| AWW | 表記: | [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol | 組成式: | C24 H27 N3 O3 S | SMILES: | COC1=C(Cc2c(C1)nc(C)nc2N[CH](C)c3sc(cc3)c4ccccc4CO)OC | InChi: | InChI=1S/C24H27N3O3S/c1-14(22-9-10-23(31-22)17-8-6-5-7-16(17)13-28)25-24-18-11-20(29-3)21(30-4)12-19(18)26-15(2)27-24/h5-10,14,28H,11-13H2,1-4H3,(H,25,26,27)/t14-/m1/s1 | 定義日: | 2017-08-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol |
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| AWZ | 表記: | ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | 組成式: | C23 H25 N5 O2 S | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3sc(cc3)c4cnc5CCCn45)c2cc1OC | InChi: | InChI=1S/C23H25N5O2S/c1-13(20-7-8-21(31-20)17-12-24-22-6-5-9-28(17)22)25-23-15-10-18(29-3)19(30-4)11-16(15)26-14(2)27-23/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,26,27)/t13-/m1/s1 | 定義日: | 2017-08-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine |
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| AXE | 表記: | 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine | 組成式: | C22 H21 N3 O2 | SMILES: | COc1cc2ncnc(N[CH](C)c3cccc4ccccc34)c2cc1OC | InChi: | InChI=1S/C22H21N3O2/c1-14(16-10-6-8-15-7-4-5-9-17(15)16)25-22-18-11-20(26-2)21(27-3)12-19(18)23-13-24-22/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1 | 定義日: | 2017-08-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine |
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| AXH | 表記: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine | 組成式: | C25 H28 N4 O2 S | SMILES: | CNCc1ccccc1c2csc(c2)[CH](C)Nc3nc(C)nc4cc(OC)c(OC)cc34 | InChi: | InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1 | 定義日: | 2017-08-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine |
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| 99L | 表記: | 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one | 組成式: | C18 H20 N2 O4 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4 | InChi: | InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1 | 定義日: | 2018-02-07 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 1-ethyl-6-[(3~{R})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one |
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| 99O | 表記: | 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one | 組成式: | C18 H20 N2 O4 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4 | InChi: | InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m0/s1 | 定義日: | 2018-02-07 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 1-ethyl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one |
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| 99R | 表記: | 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one | 組成式: | C18 H21 N3 O3 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](N)C4 | InChi: | InChI=1S/C18H21N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-10-4-5-12(19)11-20/h3,6-9,12H,2,4-5,10-11,19H2,1H3/t12-/m0/s1 | 定義日: | 2018-02-07 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 6-[(3~{S})-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one |
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| 99X | 表記: | 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one | 組成式: | C18 H20 N2 O4 S | SMILES: | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH]4CO | InChi: | InChI=1S/C18H20N2O4S/c1-2-19-15-8-9-16(13-6-3-7-14(17(13)15)18(19)22)25(23,24)20-10-4-5-12(20)11-21/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1 | 定義日: | 2018-02-07 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 1-ethyl-6-[(2~{R})-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one |
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| BOQ | 表記: | ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate | 組成式: | C12 H19 N O3 | SMILES: | CCOC(=O)c1cc(oc1CN)C(C)(C)C | InChi: | InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3 | 定義日: | 2017-10-12 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate |
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| BQ2 | 表記: | 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone | 組成式: | C11 H13 N O2 | SMILES: | OCC(=O)N1CCc2ccccc2C1 | InChi: | InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2 | 定義日: | 2017-10-12 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone |
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| BQ5 | 表記: | (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine | 組成式: | C13 H15 N3 | SMILES: | NCc1nn(c2ccccc2)c3CCCc13 | InChi: | InChI=1S/C13H15N3/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2 | 定義日: | 2017-10-12 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine |
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| BXN | 表記: | 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide | 組成式: | C23 H33 Cl2 N5 O2 S | SMILES: | Cn1nc(C)c(N(C)[S](=O)(=O)c2c(Cl)cc(CCCN3CCN4CCC[CH]4C3)cc2Cl)c1C | InChi: | InChI=1S/C23H33Cl2N5O2S/c1-16-22(17(2)27(3)26-16)28(4)33(31,32)23-20(24)13-18(14-21(23)25)7-5-9-29-11-12-30-10-6-8-19(30)15-29/h13-14,19H,5-12,15H2,1-4H3/t19-/m1/s1 | 定義日: | 2017-10-28 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide |
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| DKQ | 表記: | 4-chloranylbenzenecarboximidamide | 組成式: | C7 H7 Cl N2 | SMILES: | NC(=N)c1ccc(Cl)cc1 | InChi: | InChI=1S/C7H7ClN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10) | 定義日: | 2018-01-23 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | 4-chloranylbenzenecarboximidamide |
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| DQ2 | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium | 組成式: | C15 H23 N10 O4 S | SMILES: | NCCNC(=O)CCSc1nc2c(N)ncnc2n1[CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O | InChi: | InChI=1S/C15H22N10O4S/c16-2-3-19-8(26)1-4-30-15-23-9-12(17)20-6-21-13(9)25(15)14-11(28)10(27)7(29-14)5-22-24-18/h6-7,10-11,14,18,27-28H,1-5,16H2,(H2-,17,19,20,21,26)/p+1/t7-,10-,11-,14-/m1/s1 | 定義日: | 2018-01-26 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium |
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| DTK | 表記: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol | 組成式: | C14 H26 O8 | SMILES: | CO[CH]1C[CH](C[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](CO)O1 | InChi: | InChI=1S/C14H26O8/c1-6-11(16)14(19)13(18)8(21-6)3-7-4-10(20-2)22-9(5-15)12(7)17/h6-19H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14+/m0/s1 | 定義日: | 2018-01-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol |
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| DTW | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium | 組成式: | C14 H21 N10 O4 S | SMILES: | NNC(=O)CCCSc1nc2c(N)ncnc2n1[CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O | InChi: | InChI=1S/C14H20N10O4S/c15-11-8-12(19-5-18-11)24(14(21-8)29-3-1-2-7(25)22-16)13-10(27)9(26)6(28-13)4-20-23-17/h5-6,9-10,13,16,26-27H,1-4H2,(H4,15,17,18,19,20)/p+1/t6-,9-,10-,13-/m1/s1 | 定義日: | 2018-01-29 | 最終更新日: | 2019-02-01 | 公開日: | 2019-02-06 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium |
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| FTQ | 表記: | bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold | 組成式: | C16 H28 Au N4 | SMILES: | CCCCn1cc[n+](C)c1[Au]c2n(CCCC)cc[n+]2C | InChi: | InChI=1S/2C8H14N2.Au/c2*1-3-4-5-10-7-6-9(2)8-10 | 定義日: | 2018-07-26 | 最終更新日: | 2019-01-25 | 公開日: | 2019-01-30 | 識別子(ID): | bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold |
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| J3W | 表記: | methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | 組成式: | C40 H53 N5 O6 S | SMILES: | COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(cc3)c4sccc4)C(C)(C)C | InChi: | InChI=1S/C40H53N5O6S/c1-27(2)33-35(46)41-22-8-7-11-28-13-15-29(16-14-28)25-40(50,37(48)42-33)21-10-23-45(44-36(47)34(39(3,4)5)43-38(49)51-6)26-30-17-19-31(20-18-30)32-12-9-24-52-32/h7-9,12-20,24,27,33-34,50H,10-11,21-23,25-26H2,1-6H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/b8-7-/t33-,34+,40+/m0/s1 | 定義日: | 2019-01-21 | 最終更新日: | 2019-01-25 | 公開日: | 2019-01-30 | 識別子(ID): | methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate |
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| J81 | 表記: | (5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) | 組成式: | C31 H60 N2 O10 | SMILES: | CCCCCCCCCNC(CCCC(C(C(NC(CCCCCCC)=O)COC1C(C(C(C(O1)CO)O)O)O)O)O)=O | InChi: | InChI=1S/C31H60N2O10/c1-3-5-7-9-10-12-14-19-32-25(36)18-15-16-23(35)27(38)22(33-26(37)17-13-11-8-6-4-2)21-42-31-30(41)29(40)28(39)24(20-34)43-31/h22-24,27-31,34-35,38-41H,3-21H2,1-2H3,(H,32,36)(H,33,37)/t22-,23+,24+,27-,28-,29-,30+,31-/m0/s1 | 定義日: | 2018-01-17 | 最終更新日: | 2019-01-25 | 公開日: | 2019-01-30 | 識別子(ID): | (5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
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| GKB | 表記: | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide | 組成式: | C25 H21 F3 N6 O | SMILES: | Cc1cn(cn1)c2cc(NC(=O)c3ccc4C[CH](Cc4c3)Nc5cncnc5)cc(c2)C(F)(F)F | InChi: | InChI=1S/C25H21F3N6O/c1-15-12-34(14-31-15)23-8-19(25(26,27)28)7-21(9-23)33-24(35)17-3-2-16-5-20(6-18(16)4-17)32-22-10-29-13-30-11-22/h2-4,7-14,20,32H,5-6H2,1H3,(H,33,35)/t20-/m1/s1 | 定義日: | 2018-09-19 | 最終更新日: | 2019-01-25 | 公開日: | 2019-01-30 | 識別子(ID): | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide |
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| GKS | 表記: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol | 組成式: | C11 H19 N4 O14 P3 | SMILES: | P(=O)(O)(O)OP(OP(=O)(O)OCC1OC(CC1O)CC2=C(C(NC(=N2)N)=O)NC=O)(O)=O | InChi: | InChI=1S/C11H19N4O14P3/c12-11-14-6(9(13-4-16)10(18)15-11)1-5-2-7(17)8(27-5)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h4-5,7-8,17H,1-3H2,(H,13,16)(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t5-,7-,8+/m0/s1 | 定義日: | 2018-05-25 | 最終更新日: | 2019-01-25 | 公開日: | 2019-01-30 | 識別子(ID): | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol |
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