![VZR VZR](https://data.pdbj.org/pdbjplus/data/cc/svg/VZR.svg) | VZR | 表記: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one | 組成式: | C26 H21 N3 O5 | SMILES: | CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12 | InChi: | InChI=1S/C26H21N3O5/c1-17-11-26(31)34-25-13-21(8-9-22(17)25)32-16-19-15-29(28-27-19)14-18-7-10-24(23(30)12-18)33-20-5-3-2-4-6-20/h2-13,15,30H,14,16H2,1H3 | 定義日: | 2023-04-21 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one |
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![YHG YHG](https://data.pdbj.org/pdbjplus/data/cc/svg/YHG.svg) | YHG | 表記: | (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide | 組成式: | C29 H40 N8 O2 | SMILES: | Cn1ncc2c(cc(C)nc12)N3CCc4n(CC56CCC(CC5)(CC6)NC(=O)[CH]7COCCN7)nc(C)c4C3 | InChi: | InChI=1S/C29H40N8O2/c1-19-14-25(21-15-31-35(3)26(21)32-19)36-12-4-24-22(16-36)20(2)34-37(24)18-28-5-8-29(9-6-28,10-7-28)33-27(38)23-17-39-13-11-30-23/h14-15,23,30H,4-13,16-18H2,1-3H3,(H,33,38)/t23-,28-,29+/m0/s1 | 定義日: | 2023-06-16 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide |
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![GH0 GH0](https://data.pdbj.org/pdbjplus/data/cc/svg/GH0.svg) | GH0 | 表記: | 2-azanylethyl hydrogen sulfate | 組成式: | C2 H7 N O4 S | SMILES: | NCCO[S](O)(=O)=O | InChi: | InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6) | 定義日: | 2022-02-02 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | 2-azanylethyl hydrogen sulfate |
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![CGZ CGZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CGZ.svg) | CGZ | 表記: | N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide | 組成式: | C14 H19 N3 O3 S | SMILES: | CS(=O)(=O)Nc1c(O)ccc2C(CCCc21)C1=NCCN1 | InChi: | InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1 | 定義日: | 2023-07-17 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide |
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![KPU KPU](https://data.pdbj.org/pdbjplus/data/cc/svg/KPU.svg) | KPU | 表記: | (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-oxidanyl-butanoic acid | 組成式: | C12 H19 N2 O8 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCO)C(O)=O)c1O | InChi: | InChI=1S/C12H19N2O8P/c1-7-11(16)9(5-14-10(2-3-15)12(17)18)8(4-13-7)6-22-23(19,20)21/h4,10,14-16H,2-3,5-6H2,1H3,(H,17,18)(H2,19,20,21)/t10-/m0/s1 | 定義日: | 2022-10-05 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-oxidanyl-butanoic acid |
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![KR3 KR3](https://data.pdbj.org/pdbjplus/data/cc/svg/KR3.svg) | KR3 | 表記: | N~6~-(ethoxycarbonyl)-L-lysine | 組成式: | C9 H18 N2 O4 | SMILES: | O=C(NCCCCC(N)C(=O)O)OCC | InChi: | InChI=1S/C9H18N2O4/c1-2-15-9(14)11-6-4-3-5-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,14)(H,12,13)/t7-/m0/s1 | 定義日: | 2022-02-14 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | N~6~-(ethoxycarbonyl)-L-lysine |
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![KUC KUC](https://data.pdbj.org/pdbjplus/data/cc/svg/KUC.svg) | KUC | 表記: | [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone | 組成式: | C24 H14 F2 N2 O3 | SMILES: | c3(C(=O)n1cc2c(c1)ccc(c2)F)c(O)ccc(c3)C(n4cc5c(c4)c(ccc5)F)=O | InChi: | InChI=1S/C24H14F2N2O3/c25-18-6-4-15-10-27(12-17(15)8-18)24(31)19-9-14(5-7-22(19)29)23(30)28-11-16-2-1-3-21(26)20(16)13-28/h1-13,29H | 定義日: | 2020-05-18 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone |
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![K06 K06](https://data.pdbj.org/pdbjplus/data/cc/svg/K06.svg) | K06 | 表記: | 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one | 組成式: | C27 H29 N3 O3 | SMILES: | CCCN1C(=O)COc2nc(c3ccc(cc3)[C]4(N)C[C](C)(O)C4)c(cc12)c5ccccc5 | InChi: | InChI=1S/C27H29N3O3/c1-3-13-30-22-14-21(18-7-5-4-6-8-18)24(29-25(22)33-15-23(30)31)19-9-11-20(12-10-19)27(28)16-26(2,32)17-27/h4-12,14,32H,3,13,15-17,28H2,1-2H3/t26-,27- | 定義日: | 2023-08-10 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one |
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![LQ9 LQ9](https://data.pdbj.org/pdbjplus/data/cc/svg/LQ9.svg) | LQ9 | 表記: | ~{N}-[(1~{S})-1-[3-(2-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide | 組成式: | C16 H15 F3 N6 O3 | SMILES: | COc1cc(ccn1)c2noc(n2)[CH](C)NC(=O)c3cc(nn3C)C(F)(F)F | InChi: | InChI=1S/C16H15F3N6O3/c1-8(21-14(26)10-7-11(16(17,18)19)23-25(10)2)15-22-13(24-28-15)9-4-5-20-12(6-9)27-3/h4-8H,1-3H3,(H,21,26)/t8-/m0/s1 | 定義日: | 2022-12-01 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | ~{N}-[(1~{S})-1-[3-(2-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide |
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![HZI HZI](https://data.pdbj.org/pdbjplus/data/cc/svg/HZI.svg) | HZI | 表記: | Mangiferin | 組成式: | C19 H18 O11 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O | InChi: | InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1 | 別名: | 2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one | 定義日: | 2022-02-07 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | 2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one |
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![LWE LWE](https://data.pdbj.org/pdbjplus/data/cc/svg/LWE.svg) | LWE | 表記: | (+)-menthone | 組成式: | C10 H18 O | SMILES: | CC(C)[CH]1CC[CH](C)CC1=O | InChi: | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1 | 定義日: | 2022-07-14 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | (2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexan-1-one |
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![M1U M1U](https://data.pdbj.org/pdbjplus/data/cc/svg/M1U.svg) | M1U | 表記: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol | 組成式: | C10 H17 Cl O | SMILES: | CC(=C)[CH]1CC[C](C)(O)[CH](Cl)C1 | InChi: | InChI=1S/C10H17ClO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1 | 定義日: | 2022-07-21 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol |
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![OF9 OF9](https://data.pdbj.org/pdbjplus/data/cc/svg/OF9.svg) | OF9 | 表記: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide | 組成式: | C28 H32 F4 N4 O4 | SMILES: | O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccccn4 | InChi: | InChI=1S/C28H32F4N4O4/c29-27(30)11-9-19(10-12-27)26(40)36-17-28(31,32)15-22(36)24(38)35-21(14-18-6-2-1-3-7-18)23(37)25(39)34-16-20-8-4-5-13-33-20/h1-8,13,19,21-23,37H,9-12,14-17H2,(H,34,39)(H,35,38)/t21-,22-,23+/m1/s1 | 定義日: | 2023-01-31 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide |
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![OX9 OX9](https://data.pdbj.org/pdbjplus/data/cc/svg/OX9.svg) | OX9 | 表記: | ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide | 組成式: | C19 H11 Cl2 I2 N O3 | SMILES: | Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2 | InChi: | InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26) | 別名: | rafoxanide | 定義日: | 2023-02-24 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide |
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![OYO OYO](https://data.pdbj.org/pdbjplus/data/cc/svg/OYO.svg) | OYO | 表記: | (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol | 組成式: | C8 H14 O5 | SMILES: | CC1(C)O[CH]2O[CH](CO)[CH](O)[CH]2O1 | InChi: | InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1 | 定義日: | 2023-02-24 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol |
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![80T 80T](https://data.pdbj.org/pdbjplus/data/cc/svg/80T.svg) | 80T | 表記: | [(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propan-2-yl] (Z)-octadec-9-enoate | 組成式: | C77 H146 O17 P2 | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC | InChi: | InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h33-36,71-73,78H,5-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-,36-34-/t72-,73-/m1/s1 | 定義日: | 2023-03-15 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | [(2~{R})-1-hexadecanoyloxy-3-[[3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate |
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![80Y 80Y](https://data.pdbj.org/pdbjplus/data/cc/svg/80Y.svg) | 80Y | 表記: | 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate | 組成式: | C8 H18 N O9 P | SMILES: | NCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)17-3-4-5(10)6(11)7(12)8(13)18-4/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1 | 定義日: | 2023-03-15 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | 2-azanylethyl [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate |
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![81Q 81Q](https://data.pdbj.org/pdbjplus/data/cc/svg/81Q.svg) | 81Q | 表記: | [(2R)-1-[[(1S,2R,3R,4S,5S,6R)-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-octadecoxy-propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | 組成式: | C63 H115 O13 P | SMILES: | CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC | InChi: | InChI=1S/C63H115O13P/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-38-41-44-47-50-56(64)74-55(53-72-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2)54-73-77(70,71)76-63-61(69)59(67)58(66)60(68)62(63)75-57(65)51-48-45-42-39-35-32-24-21-18-15-12-9-6-3/h16,19,25,27,30,33,38,41,55,58-63,66-69H,4-15,17-18,20-24,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3,(H,70,71)/b19-16-,27-25-,33-30-,41-38-/t55-,58+,59+,60-,61-,62-,63+/m1/s1 | 定義日: | 2023-03-15 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | [(2~{R})-1-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-3-octadecoxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate |
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![O1U O1U](https://data.pdbj.org/pdbjplus/data/cc/svg/O1U.svg) | O1U | 表記: | (2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one | 組成式: | C40 H54 O4 | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C(O)=CC(=O)[C]1(C)C[CH](O)CC1(C)C)C=CC=C(C)C#CC2=C(C)C[CH](O)CC2(C)C | InChi: | InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1 | 別名: | mytiloxanthin | 定義日: | 2023-01-20 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | (2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one |
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![IKD IKD](https://data.pdbj.org/pdbjplus/data/cc/svg/IKD.svg) | IKD | 表記: | 2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile | 組成式: | C19 H21 N7 | SMILES: | CC(C)(C)c1cc([nH]n1)Nc2ccnc(Nc3ccc(CC#N)cc3)n2 | InChi: | InChI=1S/C19H21N7/c1-19(2,3)15-12-17(26-25-15)23-16-9-11-21-18(24-16)22-14-6-4-13(5-7-14)8-10-20/h4-7,9,11-12H,8H2,1-3H3,(H3,21,22,23,24,25,26) | 定義日: | 2023-08-01 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | 2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile |
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![IUX IUX](https://data.pdbj.org/pdbjplus/data/cc/svg/IUX.svg) | IUX | 表記: | ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide | 組成式: | C14 H17 N3 O | SMILES: | CC1(C)C[C]1(C)NC(=O)c2cc3cccn3cn2 | InChi: | InChI=1S/C14H17N3O/c1-13(2)8-14(13,3)16-12(18)11-7-10-5-4-6-17(10)9-15-11/h4-7,9H,8H2,1-3H3,(H,16,18)/t14-/m0/s1 | 定義日: | 2022-04-13 | 最終更新日: | 2023-08-11 | 公開日: | 2023-08-16 | 識別子(ID): | ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide |
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![Y0E Y0E](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0E.svg) | Y0E | 表記: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | 組成式: | C30 H27 N3 O2 | SMILES: | CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | InChi: | InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29+/m0/s1 | 定義日: | 2022-12-19 | 最終更新日: | 2023-08-04 | 公開日: | 2023-08-09 | 識別子(ID): | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide |
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![Y0I Y0I](https://data.pdbj.org/pdbjplus/data/cc/svg/Y0I.svg) | Y0I | 表記: | (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide | 組成式: | C30 H28 N4 O2 | SMILES: | CC(NC(=O)C(N(C(=O)CC=N)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | InChi: | InChI=1S/C30H28N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,19-22,29,31H,18H2,1H3,(H,33,36)/t22-,29+/m0/s1 | 定義日: | 2022-12-19 | 最終更新日: | 2023-08-04 | 公開日: | 2023-08-09 | 識別子(ID): | (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide |
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![UER UER](https://data.pdbj.org/pdbjplus/data/cc/svg/UER.svg) | UER | 表記: | 1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one | 組成式: | C21 H23 Cl F3 N3 O3 S | SMILES: | FC(F)(F)c1ccc(nc1)S(=O)(=O)C(C)(C)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 | InChi: | InChI=1S/C21H23ClF3N3O3S/c1-20(2,32(30,31)18-8-5-16(13-26-18)21(23,24)25)19(29)28-11-9-27(10-12-28)14-15-3-6-17(22)7-4-15/h3-8,13H,9-12,14H2,1-2H3 | 定義日: | 2022-08-17 | 最終更新日: | 2023-08-04 | 公開日: | 2023-08-09 | 識別子(ID): | 1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one |
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![Y1E Y1E](https://data.pdbj.org/pdbjplus/data/cc/svg/Y1E.svg) | Y1E | 表記: | N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | 組成式: | C30 H27 N3 O2 | SMILES: | CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1 | InChi: | InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29-/m0/s1 | 定義日: | 2022-12-21 | 最終更新日: | 2023-08-04 | 公開日: | 2023-08-09 | 識別子(ID): | N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide |
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