![VFS VFS](https://data.pdbj.org/pdbjplus/data/cc/svg/VFS.svg) | VFS | 表記: | N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide | 組成式: | C19 H19 N3 O3 | SMILES: | c2(c(ccc(C(=O)NC(CO)c1ccccc1)c2)c3cnnc3)OC | InChi: | InChI=1S/C19H19N3O3/c1-25-18-9-14(7-8-16(18)15-10-20-21-11-15)19(24)22-17(12-23)13-5-3-2-4-6-13/h2-11,17,23H,12H2,1H3,(H,20,21)(H,22,24)/t17-/m1/s1 | 定義日: | 2020-08-10 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide |
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![SZS SZS](https://data.pdbj.org/pdbjplus/data/cc/svg/SZS.svg) | SZS | 表記: | methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside | 組成式: | C17 H22 O9 | SMILES: | C1(C(O)C(C(C(O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)OC | InChi: | InChI=1S/C17H22O9/c1-23-17-15(22)16(14(21)11(8-18)25-17)26-13(20)7-12(19)24-9-10-5-3-2-4-6-10/h2-6,11,14-18,21-22H,7-9H2,1H3/t11-,14+,15-,16+,17-/m1/s1 | 定義日: | 2020-03-13 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside |
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![PK5 PK5](https://data.pdbj.org/pdbjplus/data/cc/svg/PK5.svg) | PK5 | 表記: | 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide | 組成式: | C27 H37 Cl N6 O3 | SMILES: | CCC1NC2CCC(Cl)CN2C1C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C)C(=O)NC5=O | InChi: | InChI=1S/C27H37ClN6O3/c1-3-22-24(34-16-19(28)6-9-23(34)30-22)26(36)29-14-18-4-7-20(8-5-18)32-12-10-21(11-13-32)33-15-17(2)25(35)31-27(33)37/h4-5,7-8,15,19,21-24,30H,3,6,9-14,16H2,1-2H3,(H,29,36)(H,31,35,37) | 定義日: | 2020-04-23 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 6-chloranyl-2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide |
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![PZV PZV](https://data.pdbj.org/pdbjplus/data/cc/svg/PZV.svg) | PZV | 表記: | 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide | 組成式: | C16 H15 F N2 O3 S | SMILES: | c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c23 | InChi: | InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3 | 定義日: | 2019-08-30 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide |
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![QGH QGH](https://data.pdbj.org/pdbjplus/data/cc/svg/QGH.svg) | QGH | 表記: | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | 組成式: | C12 H14 N2 | SMILES: | C[CH]1NCCc2c1[nH]c3ccccc23 | InChi: | InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1 | 定義日: | 2020-06-16 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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![QGK QGK](https://data.pdbj.org/pdbjplus/data/cc/svg/QGK.svg) | QGK | 表記: | (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | 組成式: | C12 H14 N2 | SMILES: | C[CH]1NCCc2c1[nH]c3ccccc23 | InChi: | InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m0/s1 | 定義日: | 2020-06-16 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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![QKK QKK](https://data.pdbj.org/pdbjplus/data/cc/svg/QKK.svg) | QKK | 表記: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid | 組成式: | C12 H11 F2 N7 O5 S2 | SMILES: | NC(=N)NNC(=O)Nc1c(F)cc(cc1F)[S](=O)(=O)Nc2scnc2C(O)=O | InChi: | InChI=1S/C12H11F2N7O5S2/c13-5-1-4(2-6(14)7(5)18-12(24)20-19-11(15)16)28(25,26)21-9-8(10(22)23)17-3-27-9/h1-3,21H,(H,22,23)(H4,15,16,19)(H2,18,20,24) | 定義日: | 2020-06-22 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid |
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![F9U F9U](https://data.pdbj.org/pdbjplus/data/cc/svg/F9U.svg) | F9U | 表記: | (3Z,5R,8R,9S,10R,13S,14R)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione | 組成式: | C21 H32 N2 O3 | SMILES: | C[C]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)=NOCCN | InChi: | InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13-/t14-,15+,16-,17-,20+,21-/m0/s1 | 定義日: | 2020-04-22 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | (3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{R})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione |
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![GE6 GE6](https://data.pdbj.org/pdbjplus/data/cc/svg/GE6.svg) | GE6 | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | 組成式: | C10 H15 F N3 O15 P3 | SMILES: | NC(=O)C1=NC(=CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C1=O)F | InChi: | InChI=1S/C10H15FN3O15P3/c11-4-1-14(9(18)5(13-4)8(12)17)10-7(16)6(15)3(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,3,6-7,10,15-16H,2H2,(H2,12,17)(H,22,23)(H,24,25)(H2,19,20,21)/t3-,6-,7-,10-/m1/s1 | 定義日: | 2020-08-21 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![HQH HQH](https://data.pdbj.org/pdbjplus/data/cc/svg/HQH.svg) | HQH | 表記: | Piericidin A | 組成式: | C25 H37 N O4 | SMILES: | COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH](C)[CH](O)C(C)=CC)N1)C | InChi: | InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1 | 定義日: | 2018-12-16 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 2,3-dimethoxy-5-methyl-6-[(2~{E},5~{E},7~{E},9~{R},10~{R},11~{E})-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]-1~{H}-pyridin-4-one |
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![HQK HQK](https://data.pdbj.org/pdbjplus/data/cc/svg/HQK.svg) | HQK | 表記: | Pyridaben | 組成式: | C19 H25 Cl N2 O S | SMILES: | CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C | InChi: | InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3 | 定義日: | 2018-12-16 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 2-~{tert}-butyl-5-[(4-~{tert}-butylphenyl)methylsulfanyl]-4-chloranyl-pyridazin-3-one |
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![HQW HQW](https://data.pdbj.org/pdbjplus/data/cc/svg/HQW.svg) | HQW | 表記: | Aureothin | 組成式: | C22 H23 N O6 | SMILES: | COC1=C(C)C(=O)C(=C(O1)[CH]2CC(CO2)=CC(C)=Cc3ccc(cc3)[N+]([O-])=O)C | InChi: | InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1 | 定義日: | 2018-12-16 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 2-methoxy-3,5-dimethyl-6-[(2~{R},4~{Z})-4-[(~{E})-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one |
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![0J1 0J1](https://data.pdbj.org/pdbjplus/data/cc/svg/0J1.svg) | 0J1 | 表記: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate | 組成式: | C27 H52 O16 P2 | SMILES: | CCCCCCCCC(OCC(OC(=O)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)OP(O)(O)=O)O)=O | InChi: | InChI=1S/C27H52O16P2/c1-3-5-7-9-11-13-15-20(28)39-17-19(41-21(29)16-14-12-10-8-6-4-2)18-40-45(37,38)43-27-24(32)22(30)23(31)26(25(27)33)42-44(34,35)36/h19,22-27,30-33H,3-18H2,1-2H3,(H,37,38)(H2,34,35,36)/t19-,22+,23+,24-,25-,26-,27+/m1/s1 | 定義日: | 2020-08-07 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | (2R)-3-{[(R)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate |
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![BWC BWC](https://data.pdbj.org/pdbjplus/data/cc/svg/BWC.svg) | BWC | 表記: | 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide | 組成式: | C22 H25 F N4 O2 | SMILES: | Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN4CCCC4 | InChi: | InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12- | 定義日: | 2019-03-20 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 5-[(~{Z})-(5-fluoranyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]-2,4-dimethyl-~{N}-(2-pyrrolidin-1-ylethyl)-1~{H}-pyrrole-3-carboxamide |
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![E2X E2X](https://data.pdbj.org/pdbjplus/data/cc/svg/E2X.svg) | E2X | 表記: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine | 組成式: | C19 H23 Cl N4 O | SMILES: | Nc1cc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2cc1Cl | InChi: | InChI=1S/C19H23ClN4O/c20-14-9-17-18(10-15(14)21)25-19-12-23-7-5-16(19)24(17)8-2-4-13-3-1-6-22-11-13/h5,7,9-10,12-13,22H,1-4,6,8,11,21H2/t13-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine |
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![E6L E6L](https://data.pdbj.org/pdbjplus/data/cc/svg/E6L.svg) | E6L | 表記: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid
ine-5-carboxamide | 組成式: | C23 H26 Cl N7 O3 | SMILES: | COc1ccc(CNc2nc(ncc2C(=O)NCc3ncccn3)N4CCC[CH]4CO)cc1Cl | InChi: | InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1 | 別名: | Avanafil | 定義日: | 2019-10-31 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2~{S})-2-(hydroxymethyl)pyrrolidin-1-yl]-~{N}-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide |
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![EBX EBX](https://data.pdbj.org/pdbjplus/data/cc/svg/EBX.svg) | EBX | 表記: | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide | 組成式: | C22 H26 N4 O5 | SMILES: | CC[CH](NC1=C(Nc2ccnc(c2O)C(=O)N(C)C)C(=O)C1=O)c3occ(c3)C(C)C | InChi: | InChI=1S/C22H26N4O5/c1-6-13(15-9-12(10-31-15)11(2)3)24-16-17(21(29)20(16)28)25-14-7-8-23-18(19(14)27)22(30)26(4)5/h7-11,13,24,27H,6H2,1-5H3,(H,23,25)/t13-/m1/s1 | 定義日: | 2019-12-10 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide |
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![K6G K6G](https://data.pdbj.org/pdbjplus/data/cc/svg/K6G.svg) | K6G | 表記: | [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate | 組成式: | C24 H51 N O7 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N](C)(C)C | InChi: | InChI=1S/C24H51NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3,(H,28,29) | 定義日: | 2018-11-01 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate |
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![2SL 2SL](https://data.pdbj.org/pdbjplus/data/cc/svg/2SL.svg) | 2SL | 表記: | (2S)-pentan-2-ol | 組成式: | C5 H12 O | SMILES: | OC(C)CCC | InChi: | InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1 | 別名: | (S)-2-pentanol | 定義日: | 2008-04-13 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | (2S)-pentan-2-ol |
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![EZ6 EZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/EZ6.svg) | EZ6 | 表記: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid | 組成式: | C24 H17 F4 N7 O2 | SMILES: | CNc1cc(F)cc2c1[nH]c3ncc(c4cnc(nc4)C5(CC5)C(O)=O)c(n6ccc(n6)C(F)(F)F)c23 | InChi: | InChI=1S/C24H17F4N7O2/c1-29-15-7-12(25)6-13-17-19(35-5-2-16(34-35)24(26,27)28)14(10-30-20(17)33-18(13)15)11-8-31-21(32-9-11)23(3-4-23)22(36)37/h2,5-10,29H,3-4H2,1H3,(H,30,33)(H,36,37) | 定義日: | 2020-02-27 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid |
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![EZ9 EZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/EZ9.svg) | EZ9 | 表記: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid | 組成式: | C26 H23 F4 N7 O3 | SMILES: | CCNc1cc(F)cc2c1[nH]c3ncc(c4cnc(OCC(C)(C)C(O)=O)nc4)c(n5ccc(n5)C(F)(F)F)c23 | InChi: | InChI=1S/C26H23F4N7O3/c1-4-31-17-8-14(27)7-15-19-21(37-6-5-18(36-37)26(28,29)30)16(11-32-22(19)35-20(15)17)13-9-33-24(34-10-13)40-12-25(2,3)23(38)39/h5-11,31H,4,12H2,1-3H3,(H,32,35)(H,38,39) | 定義日: | 2020-02-27 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid |
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![F0U F0U](https://data.pdbj.org/pdbjplus/data/cc/svg/F0U.svg) | F0U | 表記: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide | 組成式: | C18 H14 Br Cl2 N5 O2 | SMILES: | CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c2cc(Br)nn2c3ncccc3Cl | InChi: | InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28) | 定義日: | 2020-03-10 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | 5-bromanyl-~{N}-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide |
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![N3Z N3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/N3Z.svg) | N3Z | 表記: | ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide | 組成式: | C23 H25 N O5 | SMILES: | COc1cc2CC[CH](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1OC | InChi: | InChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-10,18H,1,6-7,11H2,2-5H3,(H,24,25)/t18-/m0/s1 | 定義日: | 2019-11-11 | 最終更新日: | 2020-08-28 | 公開日: | 2020-09-02 | 識別子(ID): | ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide |
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![GHV GHV](https://data.pdbj.org/pdbjplus/data/cc/svg/GHV.svg) | GHV | 表記: | (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide | 組成式: | C27 H34 N4 O4 | SMILES: | CN(C)c1ccc(C=CC(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O)cc1 | InChi: | InChI=1S/C27H34N4O4/c1-31(2)23-11-8-19(9-12-23)10-13-25(33)30-24(16-20-6-4-3-5-7-20)27(35)29-22(18-32)17-21-14-15-28-26(21)34/h3-13,21-22,24,32H,14-18H2,1-2H3,(H,28,34)(H,29,35)(H,30,33)/b13-10+/t21-,22-,24-/m0/s1 | 定義日: | 2012-08-13 | 最終更新日: | 2020-08-25 | 公開日: | 2016-06-01 | 識別子(ID): | (2~{S})-2-[[(~{E})-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-~{N}-[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide |
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![GHX GHX](https://data.pdbj.org/pdbjplus/data/cc/svg/GHX.svg) | GHX | 表記: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | 組成式: | C24 H29 N3 O5 | SMILES: | OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3 | InChi: | InChI=1S/C24H29N3O5/c28-15-20(14-19-11-12-25-22(19)29)26-23(30)21(13-17-7-3-1-4-8-17)27-24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,28H,11-16H2,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1 | 定義日: | 2012-08-13 | 最終更新日: | 2020-08-25 | 公開日: | 2016-06-01 | 識別子(ID): | (phenylmethyl) ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate |
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