| 82M | 表記: | N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide | 組成式: | C18 H18 Cl F N4 O2 S | SMILES: | C(C(NC(=O)c1nc(cc1)c2cc(F)c(Cl)cc2)c3sc(c(C)n3)CO)N | InChi: | InChI=1S/C18H18ClFN4O2S/c1-9-16(8-25)27-18(22-9)15(7-21)24-17(26)14-5-4-13(23-14)10-2-3-11(19)12(20)6-10/h2-6,15,23,25H,7-8,21H2,1H3,(H,24,26)/t15-/m0/s1 | 定義日: | 2016-12-16 | 最終更新日: | 2017-03-17 | 公開日: | 2017-03-22 | 識別子(ID): | N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide |
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| 8B4 | 表記: | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol | 組成式: | C11 H16 F N5 O9 P2 | SMILES: | c2nc1c(ncnn1c2C3C(F)(C)C(O)C(O3)COP(OP(O)(O)=O)(O)=O)N | InChi: | InChI=1S/C11H16FN5O9P2/c1-11(12)7(18)6(3-24-28(22,23)26-27(19,20)21)25-8(11)5-2-14-10-9(13)15-4-16-17(5)10/h2,4,6-8,18H,3H2,1H3,(H,22,23)(H2,13,15,16)(H2,19,20,21)/t6-,7-,8+,11-/m1/s1 | 定義日: | 2017-01-17 | 最終更新日: | 2017-03-17 | 公開日: | 2017-03-22 | 識別子(ID): | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol |
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| 6X4 | 表記: | [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium | 組成式: | C20 H37 N6 O8 | SMILES: | C[CH](O)C(=O)N[CH](C)C(=O)N[CH](CCC(=O)N[CH](CCCC[NH3+])C(=O)N[CH](C)C(N)=O)C(O)=O | InChi: | InChI=1S/C20H36N6O8/c1-10(16(22)29)23-19(32)13(6-4-5-9-21)25-15(28)8-7-14(20(33)34)26-17(30)11(2)24-18(31)12(3)27/h10-14,27H,4-9,21H2,1-3H3,(H2,22,29)(H,23,32)(H,24,31)(H,25,28)(H,26,30)(H,33,34)/p+1/t10-,11+,12-,13-,14-/m1/s1 | 定義日: | 2015-11-20 | 最終更新日: | 2017-03-16 | 公開日: | 2016-10-12 | 識別子(ID): | [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium |
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| KZZ | 表記: | 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide | 組成式: | C32 H33 N5 O2 | SMILES: | COc1ccc(CN2CCc3n(CCN)nc(C(=O)NCc4cccc5ccccc45)c3C2)c6ccccc16 | InChi: | InChI=1S/C32H33N5O2/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-36-17-15-29-28(21-36)31(35-37(29)18-16-33)32(38)34-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14H,15-21,33H2,1H3,(H,34,38) | 定義日: | 2016-12-19 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide |
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| XKA | 表記: | [2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone | 組成式: | C18 H19 N5 O6 S2 | SMILES: | Cc1nc(sc1C(=O)c2sc(N[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)nc2)c4cnccn4 | InChi: | InChI=1S/C18H19N5O6S2/c1-7-15(31-17(22-7)8-4-19-2-3-20-8)12(26)10-5-21-18(30-10)23-16-14(28)13(27)11(25)9(6-24)29-16/h2-5,9,11,13-14,16,24-25,27-28H,6H2,1H3,(H,21,23)/t9-,11-,13+,14+,16+/m1/s1 | 定義日: | 2017-01-10 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | [2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone |
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| YL4 | 表記: | [(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid | 組成式: | C22 H20 N3 O4 P S | SMILES: | c1c(ccc2c1CCO2)C(Nc3ncnc4sc(cc34)c5ccc(cc5)C)P(O)(O)=O | InChi: | InChI=1S/C22H20N3O4PS/c1-13-2-4-14(5-3-13)19-11-17-20(23-12-24-22(17)31-19)25-21(30(26,27)28)16-6-7-18-15(10-16)8-9-29-18/h2-7,10-12,21H,8-9H2,1H3,(H,23,24,25)(H2,26,27,28)/t21-/m1/s1 | 定義日: | 2016-05-12 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | [(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid |
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| YL5 | 表記: | [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid | 組成式: | C21 H19 F N3 O3 P S | SMILES: | c1c(cccc1F)CC(P(O)(=O)O)Nc2ncnc3c2cc(s3)c4ccc(cc4)C | InChi: | InChI=1S/C21H19FN3O3PS/c1-13-5-7-15(8-6-13)18-11-17-20(23-12-24-21(17)30-18)25-19(29(26,27)28)10-14-3-2-4-16(22)9-14/h2-9,11-12,19H,10H2,1H3,(H,23,24,25)(H2,26,27,28)/t19-/m1/s1 | 定義日: | 2016-05-12 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid |
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| YL6 | 表記: | [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid | 組成式: | C21 H18 Cl F N3 O3 P S | SMILES: | c1c(Cl)c(C)ccc1c2cc3c(ncnc3s2)NC(Cc4cc(F)ccc4)P(O)(=O)O | InChi: | InChI=1S/C21H18ClFN3O3PS/c1-12-5-6-14(9-17(12)22)18-10-16-20(24-11-25-21(16)31-18)26-19(30(27,28)29)8-13-3-2-4-15(23)7-13/h2-7,9-11,19H,8H2,1H3,(H,24,25,26)(H2,27,28,29)/t19-/m1/s1 | 定義日: | 2016-05-12 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid |
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| SH5 | 表記: | 5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine | 組成式: | C18 H27 Br N5 O8 P | SMILES: | BrCCCCCCCC(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C18H27BrN5O8P/c19-7-5-3-1-2-4-6-12(25)32-33(28,29)30-8-11-14(26)15(27)18(31-11)24-10-23-13-16(20)21-9-22-17(13)24/h9-11,14-15,18,26-27H,1-8H2,(H,28,29)(H2,20,21,22)/t11-,14-,15-,18-/m1/s1 | 定義日: | 2014-04-24 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine |
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| SH6 | 表記: | 8-bromooctanoic acid | 組成式: | C8 H15 Br O2 | SMILES: | O=C(O)CCCCCCCBr | InChi: | InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11) | 定義日: | 2014-05-02 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 8-bromooctanoic acid |
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| 231 | 表記: | 4-PHENYL-1H-IMIDAZOLE | 組成式: | C9 H8 N2 | SMILES: | n2c(c1ccccc1)cnc2 | InChi: | InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11) | 定義日: | 2007-05-03 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 4-phenyl-1H-imidazole |
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| 6CZ | 表記: | 5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine | 組成式: | C19 H27 N7 O8 | SMILES: | n3c(c1c(n(cn1)C2OC(CN(CCC(C(=O)O)N)CC(C(=O)OCC)=O)C(C2O)O)nc3)N | InChi: | InChI=1S/C19H27N7O8/c1-2-33-19(32)10(27)5-25(4-3-9(20)18(30)31)6-11-13(28)14(29)17(34-11)26-8-24-12-15(21)22-7-23-16(12)26/h7-9,11,13-14,17,28-29H,2-6,20H2,1H3,(H,30,31)(H2,21,22,23)/t9-,11+,13+,14+,17+/m0/s1 | 定義日: | 2016-03-16 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine |
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| 6D0 | 表記: | 5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine | 組成式: | C17 H24 Br N7 O6 | SMILES: | O=C(O)C(CCN(CC(CBr)=O)CC3OC(n1cnc2c(N)ncnc12)C(C3O)O)N | InChi: | InChI=1S/C17H24BrN7O6/c18-3-8(26)4-24(2-1-9(19)17(29)30)5-10-12(27)13(28)16(31-10)25-7-23-11-14(20)21-6-22-15(11)25/h6-7,9-10,12-13,16,27-28H,1-5,19H2,(H,29,30)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1 | 定義日: | 2016-03-16 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine |
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| 6D1 | 表記: | 5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine | 組成式: | C16 H24 Cl N7 O5 | SMILES: | NC(C(=O)O)CCN(CCCl)CC1OC(C(O)C1O)n2cnc3c2ncnc3N | InChi: | InChI=1S/C16H24ClN7O5/c17-2-4-23(3-1-8(18)16(27)28)5-9-11(25)12(26)15(29-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,15,25-26H,1-5,18H2,(H,27,28)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1 | 定義日: | 2016-03-16 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine |
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| 6D2 | 表記: | 5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine | 組成式: | C18 H30 N10 O5 | SMILES: | C(CN(CCC(C(O)=O)N)CC1C(O)C(O)C(O1)n3c2c(c(ncn2)N)nc3)CNC(=N)N | InChi: | InChI=1S/C18H30N10O5/c19-9(17(31)32)2-5-27(4-1-3-23-18(21)22)6-10-12(29)13(30)16(33-10)28-8-26-11-14(20)24-7-25-15(11)28/h7-10,12-13,16,29-30H,1-6,19H2,(H,31,32)(H2,20,24,25)(H4,21,22,23)/t9-,10+,12+,13+,16+/m0/s1 | 定義日: | 2016-03-16 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine |
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| 6D3 | 表記: | (2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name) | 組成式: | C22 H33 N11 O7 | SMILES: | O=C(O)C(N)CCN(CC1OC(C(O)C1O)n2cnc3c2ncnc3N)CCCn4nnc(c4)CC(C(O)=O)N | InChi: | InChI=1S/C22H33N11O7/c23-12(21(36)37)2-5-31(3-1-4-32-7-11(29-30-32)6-13(24)22(38)39)8-14-16(34)17(35)20(40-14)33-10-28-15-18(25)26-9-27-19(15)33/h7,9-10,12-14,16-17,20,34-35H,1-6,8,23-24H2,(H,36,37)(H,38,39)(H2,25,26,27)/t12-,13-,14+,16+,17+,20+/m0/s1 | 定義日: | 2016-03-16 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | (2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name) |
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| 6D4 | 表記: | 5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine | 組成式: | C16 H28 N10 O5 | SMILES: | C(CN(CCC(C(O)=O)N)CC3C(C(C(n2c1ncnc(c1nc2)N)O3)O)O)NNN | InChi: | InChI=1S/C16H28N10O5/c17-8(16(29)30)1-3-25(4-2-23-24-19)5-9-11(27)12(28)15(31-9)26-7-22-10-13(18)20-6-21-14(10)26/h6-9,11-12,15,23-24,27-28H,1-5,17,19H2,(H,29,30)(H2,18,20,21)/t8-,9+,11+,12+,15+/m0/s1 | 定義日: | 2016-03-16 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine |
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| 6GA | 表記: | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide | 組成式: | C17 H17 F N2 O3 | SMILES: | O=C(NCc1ccccc1)C(C(=O)NO)Cc2ccc(cc2)F | InChi: | InChI=1S/C17H17FN2O3/c18-14-8-6-12(7-9-14)10-15(17(22)20-23)16(21)19-11-13-4-2-1-3-5-13/h1-9,15,23H,10-11H2,(H,19,21)(H,20,22)/t15-/m0/s1 | 定義日: | 2016-04-05 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide |
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| 6K5 | 表記: | [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | 組成式: | C18 H21 Cl F3 N7 O2 | SMILES: | FC(c1c(cnc(c1)N)c2nc(nc(n2)N3CC(C3)(CCl)CO)N4CCOCC4)(F)F | InChi: | InChI=1S/C18H21ClF3N7O2/c19-7-17(10-30)8-29(9-17)16-26-14(25-15(27-16)28-1-3-31-4-2-28)11-6-24-13(23)5-12(11)18(20,21)22/h5-6,30H,1-4,7-10H2,(H2,23,24) | 定義日: | 2016-04-21 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol |
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| 6K7 | 表記: | [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | 組成式: | C19 H22 Cl F3 N6 O2 | SMILES: | c2(N1CCOCC1)cc(nc(n2)N3CC(C3)(CO)CCl)c4c(C(F)(F)F)cc(nc4)N | InChi: | InChI=1S/C19H22ClF3N6O2/c20-8-18(11-30)9-29(10-18)17-26-14(6-16(27-17)28-1-3-31-4-2-28)12-7-25-15(24)5-13(12)19(21,22)23/h5-7,30H,1-4,8-11H2,(H2,24,25) | 定義日: | 2016-04-21 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol |
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| 6O3 | 表記: | {[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid | 組成式: | C14 H13 N2 O3 P S | SMILES: | O=P(Cc2c1c(ncnc1)sc2c3ccc(C)cc3)(O)O | InChi: | InChI=1S/C14H13N2O3PS/c1-9-2-4-10(5-3-9)13-12(7-20(17,18)19)11-6-15-8-16-14(11)21-13/h2-6,8H,7H2,1H3,(H2,17,18,19) | 定義日: | 2016-05-12 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | {[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid |
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| 765 | 表記: | 5'-{1-[(3S)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine | 組成式: | C16 H24 N7 O5 | SMILES: | C(CC(C(O)=O)N)[N+]4(CC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)CC4 | InChi: | InChI=1S/C16H23N7O5/c17-8(16(26)27)1-2-23(3-4-23)5-9-11(24)12(25)15(28-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,24-25H,1-5,17H2,(H2-,18,19,20,26,27)/p+1/t8-,9+,11+,12+,15+/m0/s1 | 定義日: | 2016-03-16 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 5'-{1-[(3S)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine |
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| 7AM | 表記: | [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid | 組成式: | C22 H21 N4 O4 P S | SMILES: | Cc1ccc(cc1)c2sc3ncnc(N[CH](Cc4ccccc4)C(=O)N[P](O)(O)=O)c3c2 | InChi: | InChI=1S/C22H21N4O4PS/c1-14-7-9-16(10-8-14)19-12-17-20(23-13-24-22(17)32-19)25-18(21(27)26-31(28,29)30)11-15-5-3-2-4-6-15/h2-10,12-13,18H,11H2,1H3,(H,23,24,25)(H3,26,27,28,29,30)/t18-/m0/s1 | 定義日: | 2016-07-25 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid |
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| 7KE | 表記: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol | 組成式: | C11 H11 Cl N2 O2 | SMILES: | OCCCc1onc(n1)c2ccc(Cl)cc2 | InChi: | InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2 | 定義日: | 2016-11-04 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol |
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| 7N1 | 表記: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile | 組成式: | C23 H15 F2 N3 O4 | SMILES: | c2(c1ccc(C#N)cc1cc(c2)F)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F | InChi: | InChI=1S/C23H15F2N3O4/c24-16-2-4-19(21(11-16)31-8-7-28-6-5-22(29)27-23(28)30)32-20-12-17(25)10-15-9-14(13-26)1-3-18(15)20/h1-6,9-12H,7-8H2,(H,27,29,30) | 定義日: | 2016-11-17 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile |
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