![KW0 KW0](https://data.pdbj.org/pdbjplus/data/cc/svg/KW0.svg) | KW0 | 表記: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid | 組成式: | C26 H50 N O9 P | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COCC)O[P](O)(=O)OC[CH](N)C(O)=O | InChi: | InChI=1S/C26H50NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)34-21-23(20-33-4-2)36-37(31,32)35-22-24(27)26(29)30/h11-12,23-24H,3-10,13-22,27H2,1-2H3,(H,29,30)(H,31,32)/b12-11-/t23-,24+/m1/s1 | 定義日: | 2022-10-20 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[(~{Z})-octadec-9-enoyl]oxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid |
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![1XR 1XR](https://data.pdbj.org/pdbjplus/data/cc/svg/1XR.svg) | 1XR | 表記: | Bupropion | 組成式: | C13 H18 Cl N O | SMILES: | C[CH](NC(C)(C)C)C(=O)c1cccc(Cl)c1 | InChi: | InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m0/s1 | 別名: | Amfebutamone | 定義日: | 2022-11-17 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (2~{S})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one |
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![QTN QTN](https://data.pdbj.org/pdbjplus/data/cc/svg/QTN.svg) | QTN | 表記: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol | 組成式: | C26 H27 Cl N4 O5 S | SMILES: | C[S](C)(O)Nc1ccc(cc1)c2ccc(cc2)c3nc4[nH]c(O[CH]5CO[CH]6[CH](O)CO[CH]56)nc4cc3Cl | InChi: | InChI=1S/C26H27ClN4O5S/c1-37(2,33)31-17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(29-22)30-26(28-19)36-21-13-35-23-20(32)12-34-24(21)23/h3-11,20-21,23-24,31-33H,12-13H2,1-2H3,(H,28,29,30)/t20-,21-,23-,24-/m1/s1 | 定義日: | 2020-08-07 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol |
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![N2L N2L](https://data.pdbj.org/pdbjplus/data/cc/svg/N2L.svg) | N2L | 表記: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | 組成式: | C47 H53 N7 O7 S | SMILES: | [O-][N+](=O)c1cc(ccc1NCC2CCOCC2)[S](=O)(=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]ccc5c4)N6CCC7(CC6)CC(C7)N8CCC[CH]8c9ccccc9C%10CC%10 | InChi: | InChI=1S/C47H53N7O7S/c55-46(51-62(58,59)37-10-12-41(43(26-37)54(56)57)49-29-31-14-22-60-23-15-31)40-11-9-34(25-44(40)61-36-24-33-13-18-48-45(33)50-30-36)52-20-16-47(17-21-52)27-35(28-47)53-19-3-6-42(53)39-5-2-1-4-38(39)32-7-8-32/h1-2,4-5,9-13,18,24-26,30-32,35,42,49H,3,6-8,14-17,19-23,27-29H2,(H,48,50)(H,51,55)/t42-/m0/s1 | 定義日: | 2023-01-06 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide |
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![A8J A8J](https://data.pdbj.org/pdbjplus/data/cc/svg/A8J.svg) | A8J | 表記: | tert-butyl 3-ethanoylbenzoate | 組成式: | C13 H16 O3 | SMILES: | CC(=O)c1cccc(c1)C(=O)OC(C)(C)C | InChi: | InChI=1S/C13H16O3/c1-9(14)10-6-5-7-11(8-10)12(15)16-13(2,3)4/h5-8H,1-4H3 | 別名: | 317829-73-5 | 定義日: | 2023-05-16 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | ~{tert}-butyl 3-ethanoylbenzoate |
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![MWH MWH](https://data.pdbj.org/pdbjplus/data/cc/svg/MWH.svg) | MWH | 表記: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | 組成式: | C42 H39 Cl N6 O7 S | SMILES: | [O-][N+](=O)c1cc(ccc1NCC2CCOCC2)[S](=O)(=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]ccc5c4)c6ccc(cc6)N7CCC[CH]7c8ccccc8Cl | InChi: | InChI=1S/C42H39ClN6O7S/c43-36-5-2-1-4-34(36)38-6-3-19-48(38)31-10-7-28(8-11-31)29-9-13-35(40(23-29)56-32-22-30-15-18-44-41(30)46-26-32)42(50)47-57(53,54)33-12-14-37(39(24-33)49(51)52)45-25-27-16-20-55-21-17-27/h1-2,4-5,7-15,18,22-24,26-27,38,45H,3,6,16-17,19-21,25H2,(H,44,46)(H,47,50)/t38-/m0/s1 | 定義日: | 2023-01-05 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide |
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![B7Y B7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/B7Y.svg) | B7Y | 表記: | methyl (2S)-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate | 組成式: | C17 H22 Cl N O4 | SMILES: | COC(=O)[CH](NC(=O)c1cccc(c1)C(=O)CCCCl)C(C)C | InChi: | InChI=1S/C17H22ClNO4/c1-11(2)15(17(22)23-3)19-16(21)13-7-4-6-12(10-13)14(20)8-5-9-18/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,19,21)/t15-/m0/s1 | 定義日: | 2023-05-17 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | methyl (2~{S})-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate |
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![Q53 Q53](https://data.pdbj.org/pdbjplus/data/cc/svg/Q53.svg) | Q53 | 表記: | (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | 組成式: | C16 H19 N3 O5 S | SMILES: | CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C(O)=O)C(O)=O | InChi: | InChI=1S/C16H19N3O5S/c1-8-7-25-14(19-11(8)15(21)22)12(16(23)24)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10,12,14,19H,7,17H2,1H3,(H,18,20)(H,21,22)(H,23,24)/t10-,12+,14-/m1/s1 | 別名: | cephalexin | 定義日: | 2023-03-23 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
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![Q6R Q6R](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6R.svg) | Q6R | 表記: | (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | 組成式: | C15 H16 Cl N3 O5 S | SMILES: | N[CH](C(=O)N[CH]([CH]1NC(=C(Cl)CS1)C(O)=O)C(O)=O)c2ccccc2 | InChi: | InChI=1S/C15H16ClN3O5S/c16-8-6-25-13(19-10(8)14(21)22)11(15(23)24)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9,11,13,19H,6,17H2,(H,18,20)(H,21,22)(H,23,24)/t9-,11+,13-/m1/s1 | 別名: | cefaclor | 定義日: | 2023-03-24 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-chloranyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid |
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![UG3 UG3](https://data.pdbj.org/pdbjplus/data/cc/svg/UG3.svg) | UG3 | 表記: | bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate | 組成式: | H7 O16 P5 | SMILES: | O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O | InChi: | InChI=1S/H7O16P5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6) | 定義日: | 2023-05-29 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate |
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![A1LZA A1LZA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LZA.svg) | A1LZA | 表記: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one | 組成式: | C24 H26 N4 O | SMILES: | Cc1ccccc1CN2CCN3C4=C(CN(CC4)Cc5ccccc5)C(=O)N=C23 | InChi: | InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-27-13-14-28-22-11-12-26(15-19-8-3-2-4-9-19)17-21(22)23(29)25-24(27)28/h2-10H,11-17H2,1H3 | 定義日: | 2024-03-16 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one |
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![RYF RYF](https://data.pdbj.org/pdbjplus/data/cc/svg/RYF.svg) | RYF | 表記: | ~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine | 組成式: | C11 H8 I N5 | SMILES: | Ic1ccc(Nc2ncnc3[nH]ncc23)cc1 | InChi: | InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17) | 定義日: | 2022-12-09 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | ~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
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![W4I W4I](https://data.pdbj.org/pdbjplus/data/cc/svg/W4I.svg) | W4I | 表記: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate | 組成式: | C53 H82 O15 | SMILES: | CCC=CCC=CCC=CCC=CCCCCC(=O)O[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC | InChi: | InChI=1S/C53H82O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1 | 定義日: | 2023-04-27 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate |
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![W4O W4O](https://data.pdbj.org/pdbjplus/data/cc/svg/W4O.svg) | W4O | 表記: | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate | 組成式: | C51 H80 O15 | SMILES: | CCC=CCC=CCC=CCC=CCCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC | InChi: | InChI=1S/C51H80O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1 | 定義日: | 2023-04-27 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | [(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate |
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![W6E W6E](https://data.pdbj.org/pdbjplus/data/cc/svg/W6E.svg) | W6E | 表記: | 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine | 組成式: | C10 H8 N6 | SMILES: | Nc1ncc2ccc(cc2n1)c3[nH]nnc3 | InChi: | InChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16) | 定義日: | 2023-05-09 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine |
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![W6T W6T](https://data.pdbj.org/pdbjplus/data/cc/svg/W6T.svg) | W6T | 表記: | quinazolin-2-amine | 組成式: | C8 H7 N3 | SMILES: | Nc1ncc2ccccc2n1 | InChi: | InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11) | 定義日: | 2023-05-09 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | quinazolin-2-amine |
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![WGH WGH](https://data.pdbj.org/pdbjplus/data/cc/svg/WGH.svg) | WGH | 表記: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | 組成式: | C17 H11 I3 O3 | SMILES: | CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H11I3O3/c1-2-12-15(14-9(18)4-3-5-13(14)23-12)16(21)8-6-10(19)17(22)11(20)7-8/h3-7,22H,2H2,1H3 | 定義日: | 2023-10-03 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone |
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![WGJ WGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WGJ.svg) | WGJ | 表記: | [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | 組成式: | C17 H10 Cl2 I2 O3 | SMILES: | CCc1oc2c(Cl)ccc(Cl)c2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H10Cl2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3 | 定義日: | 2023-10-03 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone |
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![WH0 WH0](https://data.pdbj.org/pdbjplus/data/cc/svg/WH0.svg) | WH0 | 表記: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone | 組成式: | C17 H10 F2 I2 O3 | SMILES: | CCc1oc2c(F)ccc(F)c2c1C(=O)c3cc(I)c(O)c(I)c3 | InChi: | InChI=1S/C17H10F2I2O3/c1-2-12-14(13-8(18)3-4-9(19)17(13)24-12)15(22)7-5-10(20)16(23)11(21)6-7/h3-6,23H,2H2,1H3 | 定義日: | 2023-10-03 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone |
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![USR USR](https://data.pdbj.org/pdbjplus/data/cc/svg/USR.svg) | USR | 表記: | methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside | 組成式: | C18 H31 N O15 | SMILES: | OCC(O)C(O)C1OC(OC2C(O)C(OC)OC(CO)C2O)(CC(O)C1NC(=O)CO)C(=O)O | InChi: | InChI=1S/C18H31NO15/c1-31-16-13(28)15(12(27)8(4-21)32-16)34-18(17(29)30)2-6(23)10(19-9(25)5-22)14(33-18)11(26)7(24)3-20/h6-8,10-16,20-24,26-28H,2-5H2,1H3,(H,19,25)(H,29,30)/t6-,7-,8+,10+,11+,12-,13-,14+,15-,16+,18-/m0/s1 | 定義日: | 2023-09-06 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside |
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![IRY IRY](https://data.pdbj.org/pdbjplus/data/cc/svg/IRY.svg) | IRY | 表記: | [(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate | 組成式: | C17 H34 O4 Se | SMILES: | CCCCCC[Se]CCCCCCCC(=O)OC[CH](O)CO | InChi: | InChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1 | 定義日: | 2023-08-03 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | [(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate |
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![WSO WSO](https://data.pdbj.org/pdbjplus/data/cc/svg/WSO.svg) | WSO | 表記: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | 組成式: | C27 H36 N4 O3 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)ccc3OC)c2C)c(OC(C)CCC)cc1 | InChi: | InChI=1S/C27H36N4O3/c1-9-10-18(3)34-23-14-12-20(27(5,6)7)16-21(23)28-26(32)25-19(4)31(30-29-25)22-15-17(2)11-13-24(22)33-8/h11-16,18H,9-10H2,1-8H3,(H,28,32)/t18-/m0/s1 | 定義日: | 2023-05-17 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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![WSX WSX](https://data.pdbj.org/pdbjplus/data/cc/svg/WSX.svg) | WSX | 表記: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | 組成式: | C28 H38 N4 O4 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m0/s1 | 定義日: | 2023-05-17 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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![WT1 WT1](https://data.pdbj.org/pdbjplus/data/cc/svg/WT1.svg) | WT1 | 表記: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide | 組成式: | C29 H40 N4 O5 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(OC)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C29H40N4O5/c1-10-12-20(11-2)38-23-14-13-19(29(4,5)6)15-21(23)30-28(34)27-18(3)33(32-31-27)22-16-25(36-8)26(37-9)17-24(22)35-7/h13-17,20H,10-12H2,1-9H3,(H,30,34)/t20-/m0/s1 | 定義日: | 2023-05-17 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
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![WU2 WU2](https://data.pdbj.org/pdbjplus/data/cc/svg/WU2.svg) | WU2 | 表記: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | 組成式: | C29 H40 N4 O4 | SMILES: | CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(C)c(cc3OC)OC)c2C)c(OC(CC)CCC)cc1 | InChi: | InChI=1S/C29H40N4O4/c1-10-12-21(11-2)37-24-14-13-20(29(5,6)7)16-22(24)30-28(34)27-19(4)33(32-31-27)23-15-18(3)25(35-8)17-26(23)36-9/h13-17,21H,10-12H2,1-9H3,(H,30,34)/t21-/m0/s1 | 定義日: | 2023-05-18 | 最終更新日: | 2024-05-10 | 公開日: | 2024-05-15 | 識別子(ID): | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
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