![D9T D9T](https://data.pdbj.org/pdbjplus/data/cc/svg/D9T.svg) | D9T | 表記: | ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | 組成式: | C14 H21 N3 O2 | SMILES: | CN1C=C(C=CC1=O)C(=O)NCC2(N)CCCCC2 | InChi: | InChI=1S/C14H21N3O2/c1-17-9-11(5-6-12(17)18)13(19)16-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,19) | 定義日: | 2018-01-11 | 最終更新日: | 2018-05-25 | 公開日: | 2018-05-30 | 識別子(ID): | ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide |
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![GR5 GR5](https://data.pdbj.org/pdbjplus/data/cc/svg/GR5.svg) | GR5 | 表記: | (2aR,4S,4aR,7aR,7bR)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate | 組成式: | C34 H42 F2 N4 O7 S2 | SMILES: | s1c(nc6c1cc(S(=O)(N(CC(O)C(NC(OC2CC4C3C2CCOC3OC4)=O)Cc5cc(cc(c5)F)F)CC(C)C)=O)cc6)NC7CC7 | InChi: | InChI=1S/C34H42F2N4O7S2/c1-18(2)15-40(49(43,44)24-5-6-26-30(14-24)48-33(38-26)37-23-3-4-23)16-28(41)27(11-19-9-21(35)13-22(36)10-19)39-34(42)47-29-12-20-17-46-32-31(20)25(29)7-8-45-32/h5-6,9-10,13-14,18,20,23,25,27-29,31-32,41H,3-4,7-8,11-12,15-17H2,1-2H3,(H,37,38)(H,39,42)/t20-,25-,27-,28+,29-,31+,32+/m0/s1 | 定義日: | 2018-02-09 | 最終更新日: | 2018-05-25 | 公開日: | 2018-05-30 | 識別子(ID): | (2aR,4S,4aR,7aR,7bR)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate |
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![GR8 GR8](https://data.pdbj.org/pdbjplus/data/cc/svg/GR8.svg) | GR8 | 表記: | (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate | 組成式: | C34 H42 F2 N4 O7 S2 | SMILES: | s1c3c(nc1NC2CC2)ccc(c3)S(=O)(=O)N(CC(C(Cc4cc(F)cc(c4)F)NC(=O)OC5CC7C6C5CCOC6OC7)O)CC(C)C | InChi: | InChI=1S/C34H42F2N4O7S2/c1-18(2)15-40(49(43,44)24-5-6-26-30(14-24)48-33(38-26)37-23-3-4-23)16-28(41)27(11-19-9-21(35)13-22(36)10-19)39-34(42)47-29-12-20-17-46-32-31(20)25(29)7-8-45-32/h5-6,9-10,13-14,18,20,23,25,27-29,31-32,41H,3-4,7-8,11-12,15-17H2,1-2H3,(H,37,38)(H,39,42)/t20-,25-,27+,28-,29-,31+,32+/m1/s1 | 定義日: | 2018-02-09 | 最終更新日: | 2018-05-25 | 公開日: | 2018-05-30 | 識別子(ID): | (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate |
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![GYL GYL](https://data.pdbj.org/pdbjplus/data/cc/svg/GYL.svg) | GYL | 表記: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide | 組成式: | C18 H17 Cl F N5 O | SMILES: | c3(Cl)c(CNc2nc(c1cc(NC(CC)=O)ccc1)nn2)c(ccc3)F | InChi: | InChI=1S/C18H17ClFN5O/c1-2-16(26)22-12-6-3-5-11(9-12)17-23-18(25-24-17)21-10-13-14(19)7-4-8-15(13)20/h3-9H,2,10H2,1H3,(H,22,26)(H2,21,23,24,25) | 定義日: | 2016-03-24 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide |
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![89L 89L](https://data.pdbj.org/pdbjplus/data/cc/svg/89L.svg) | 89L | 表記: | (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid | 組成式: | C26 H27 N O5 | SMILES: | CN(Cc1ccccc1OCC=C(C)CCC(O)=O)C(=O)c2ccc(cc2)c3occc3 | InChi: | InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+ | 定義日: | 2017-05-22 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | (~{E})-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid |
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![8B6 8B6](https://data.pdbj.org/pdbjplus/data/cc/svg/8B6.svg) | 8B6 | 表記: | 4-oxidanylfuro[3,2-g]chromen-7-one | 組成式: | C11 H6 O4 | SMILES: | Oc1c2ccoc2cc3OC(=O)C=Cc13 | InChi: | InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H | 定義日: | 2017-05-30 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 4-oxidanylfuro[3,2-g]chromen-7-one |
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![IR2 IR2](https://data.pdbj.org/pdbjplus/data/cc/svg/IR2.svg) | IR2 | 表記: | 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one | 組成式: | C27 H22 N4 O2 | SMILES: | O=C1N(C=Nc2ccc(cc12)c3ccnc4ccccc34)c5ccc(cc5)N6CCOCC6 | InChi: | InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2 | 定義日: | 2018-05-15 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one |
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![9R8 9R8](https://data.pdbj.org/pdbjplus/data/cc/svg/9R8.svg) | 9R8 | 表記: | 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide | 組成式: | C27 H28 N4 O3 | SMILES: | CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c4ccc(cc4)N5CCOCC5 | InChi: | InChI=1S/C27H28N4O3/c1-18-4-3-5-19(14-18)15-24-22-16-23(26(32)17-25(22)29-28-24)27(33)30(2)20-6-8-21(9-7-20)31-10-12-34-13-11-31/h3-9,14,16-17,32H,10-13,15H2,1-2H3,(H,28,29) | 定義日: | 2017-07-03 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | ~{N}-methyl-3-[(3-methylphenyl)methyl]-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide |
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![9SK 9SK](https://data.pdbj.org/pdbjplus/data/cc/svg/9SK.svg) | 9SK | 表記: | 5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one | 組成式: | C30 H28 F5 N3 O11 S | SMILES: | OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(F)c(F)c4)[CH](O)[CH](OCC5=Cc6c(F)c(F)ccc6OC5=O)[CH]1O | InChi: | InChI=1S/C30H28F5N3O11S/c31-13-1-2-17-12(20(13)34)3-11(28(45)47-17)9-46-27-24(42)19(8-40)49-30(26(27)44)50-29-25(43)22(23(41)18(7-39)48-29)38-6-16(36-37-38)10-4-14(32)21(35)15(33)5-10/h1-6,18-19,22-27,29-30,39-44H,7-9H2/t18-,19-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1 | 定義日: | 2017-07-07 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one |
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![CJN CJN](https://data.pdbj.org/pdbjplus/data/cc/svg/CJN.svg) | CJN | 表記: | ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine | 組成式: | C17 H27 N5 | SMILES: | CC(C)n1ccc2ncnc(N[CH]3CC[CH](CC3)N(C)C)c12 | InChi: | InChI=1S/C17H27N5/c1-12(2)22-10-9-15-16(22)17(19-11-18-15)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14- | 定義日: | 2017-11-28 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine |
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![CJQ CJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/CJQ.svg) | CJQ | 表記: | 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide | 組成式: | C21 H28 N4 O3 S | SMILES: | NC(=O)C[CH]1CCc2sc3ncnc(O[CH]4CC[CH](CC4)N5CCOCC5)c3c12 | InChi: | InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1 | 定義日: | 2017-11-28 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide |
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![CJT CJT](https://data.pdbj.org/pdbjplus/data/cc/svg/CJT.svg) | CJT | 表記: | 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide | 組成式: | C21 H32 N6 O | SMILES: | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc([CH]4CC[CH](CC4)C(N)=O)c23 | InChi: | InChI=1S/C21H32N6O/c1-27(2)16-9-7-15(8-10-16)26-21-18-17(11-23-20(18)24-12-25-21)13-3-5-14(6-4-13)19(22)28/h11-16H,3-10H2,1-2H3,(H2,22,28)(H2,23,24,25,26)/t13-,14-,15-,16- | 定義日: | 2017-11-28 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide |
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![CKN CKN](https://data.pdbj.org/pdbjplus/data/cc/svg/CKN.svg) | CKN | 表記: | (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide | 組成式: | C22 H33 N7 O2 | SMILES: | C[CH](CC(N)=O)c1ccn2ncnc(N[CH]3CC[CH](CC3)N4CCN(CC4)C(C)=O)c12 | InChi: | InChI=1S/C22H33N7O2/c1-15(13-20(23)31)19-7-8-29-21(19)22(24-14-25-29)26-17-3-5-18(6-4-17)28-11-9-27(10-12-28)16(2)30/h7-8,14-15,17-18H,3-6,9-13H2,1-2H3,(H2,23,31)(H,24,25,26)/t15-,17-,18-/m1/s1 | 定義日: | 2017-11-28 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide |
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![0B6 0B6](https://data.pdbj.org/pdbjplus/data/cc/svg/0B6.svg) | 0B6 | 表記: | ~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide | 組成式: | C19 H15 F2 N5 O2 | SMILES: | C[C]1(C=C(CF)OC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F | InChi: | InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1 | 定義日: | 2017-09-28 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | ~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
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![DUV DUV](https://data.pdbj.org/pdbjplus/data/cc/svg/DUV.svg) | DUV | 表記: | (2R)-2-methanoylhept-6-ynoic acid | 組成式: | C8 H10 O3 | SMILES: | OC(=O)[CH](CCCC#C)C=O | InChi: | InChI=1S/C8H10O3/c1-2-3-4-5-7(6-9)8(10)11/h1,6-7H,3-5H2,(H,10,11)/t7-/m1/s1 | 定義日: | 2017-09-21 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | (2~{R})-2-methanoylhept-6-ynoic acid |
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![DUW DUW](https://data.pdbj.org/pdbjplus/data/cc/svg/DUW.svg) | DUW | 表記: | (2R)-2-methanoyl-3-phenyl-propanoic acid | 組成式: | C10 H10 O3 | SMILES: | OC(=O)[CH](Cc1ccccc1)C=O | InChi: | InChI=1S/C10H10O3/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,12,13)/t9-/m1/s1 | 定義日: | 2017-09-21 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | (2~{R})-2-methanoyl-3-phenyl-propanoic acid |
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![E9T E9T](https://data.pdbj.org/pdbjplus/data/cc/svg/E9T.svg) | E9T | 表記: | 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid | 組成式: | C27 H26 O3 | SMILES: | OC(=O)c1ccc2cc(ccc2c1)c3ccc(O)c(c3)C45CC6CC(CC(C6)C4)C5 | InChi: | InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)/t16-,17+,18-,27- | 定義日: | 2018-03-09 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid |
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![EGW EGW](https://data.pdbj.org/pdbjplus/data/cc/svg/EGW.svg) | EGW | 表記: | 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide | 組成式: | C25 H23 F N2 O3 | SMILES: | NC(=O)c1ccc(Oc2cccc(c2)C(=O)N3CCC(CC3)c4ccc(F)cc4)cc1 | InChi: | InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29) | 定義日: | 2018-03-20 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide |
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![EO7 EO7](https://data.pdbj.org/pdbjplus/data/cc/svg/EO7.svg) | EO7 | 表記: | 2-chloro-5'-O-sulfamoyladenosine | 組成式: | C10 H13 Cl N6 O6 S | SMILES: | c2n(c1c(c(nc(n1)Cl)N)n2)C3C(C(C(O3)COS(N)(=O)=O)O)O | InChi: | InChI=1S/C10H13ClN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9-/m1/s1 | 定義日: | 2018-01-24 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 2-chloro-5'-O-sulfamoyladenosine |
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![AZQ AZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/AZQ.svg) | AZQ | 表記: | AZAPROPAZONE | 組成式: | C16 H20 N4 O2 | SMILES: | CCC[CH]1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C | InChi: | InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3/t11-/m0/s1 | 定義日: | 2005-07-25 | 最終更新日: | 2018-05-18 | 識別子(ID): | 5-(dimethylamino)-9-methyl-2-propyl-pyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione |
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![B5M B5M](https://data.pdbj.org/pdbjplus/data/cc/svg/B5M.svg) | B5M | 表記: | 9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine | 組成式: | C18 H20 N5 O9 P | SMILES: | C2(COP(OC(=O)c1c(C)cccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34 | InChi: | InChI=1S/C18H20N5O9P/c1-8-3-2-4-9(24)11(8)18(27)32-33(28,29)30-5-10-13(25)14(26)17(31-10)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,10,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t10-,13+,14+,17+/m0/s1 | 定義日: | 2017-08-01 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine |
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![B5V B5V](https://data.pdbj.org/pdbjplus/data/cc/svg/B5V.svg) | B5V | 表記: | 9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine | 組成式: | C17 H18 N5 O9 P | SMILES: | C2(COP(OC(=O)c1ccccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(N)ncnc34 | InChi: | InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12+,13+,16+/m0/s1 | 定義日: | 2017-08-01 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine |
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![B5Y B5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/B5Y.svg) | B5Y | 表記: | 9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine | 組成式: | C18 H20 N5 O9 P | SMILES: | C2(COP(OC(=O)c1cc(C)ccc1O)(=O)O)OC(C(C2O)O)n4cnc3c(ncnc34)N | InChi: | InChI=1S/C18H20N5O9P/c1-8-2-3-10(24)9(4-8)18(27)32-33(28,29)30-5-11-13(25)14(26)17(31-11)23-7-22-12-15(19)20-6-21-16(12)23/h2-4,6-7,11,13-14,17,24-26H,5H2,1H3,(H,28,29)(H2,19,20,21)/t11-,13+,14+,17+/m0/s1 | 定義日: | 2017-08-01 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine |
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![EUN EUN](https://data.pdbj.org/pdbjplus/data/cc/svg/EUN.svg) | EUN | 表記: | 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one | 組成式: | C19 H15 N3 O | SMILES: | CC1=Nc2ccc(c(C)c2C(=O)N1)c3ccnc4ccccc34 | InChi: | InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23) | 定義日: | 2018-04-19 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one |
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![EZ1 EZ1](https://data.pdbj.org/pdbjplus/data/cc/svg/EZ1.svg) | EZ1 | 表記: | 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide | 組成式: | C9 H11 N O2 S Se | SMILES: | c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O | InChi: | InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12) | 定義日: | 2018-02-13 | 最終更新日: | 2018-05-18 | 公開日: | 2018-05-23 | 識別子(ID): | 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide |
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