![TUY TUY](https://data.pdbj.org/pdbjplus/data/cc/svg/TUY.svg) | TUY | 表記: | (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20,
21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) | 組成式: | C25 H40 N7 O21 P3 S | SMILES: | O(P(=O)(O)OCC1C(OP(=O)(O)O)C(O)C(O1)n3cnc2c3ncnc2N)P(OCC(C(C(NCCC(=O)NCCSC(=O)C(C(C(O)=O)O)O)=O)O)(C)C)(O)=O | InChi: | InChI=1S/C25H40N7O21P3S/c1-25(2,18(37)21(38)28-4-3-12(33)27-5-6-57-24(41)15(35)14(34)23(39)40)8-50-56(47,48)53-55(45,46)49-7-11-17(52-54(42,43)44)16(36)22(51-11)32-10-31-13-19(26)29-9-30-20(13)32/h9-11,14-18,22,34-37H,3-8H2,1-2H3,(H,27,33)(H,28,38)(H,39,40)(H,45,46)(H,47,48)(H2,26,29,30)(H2,42,43,44)/t11-,14-,15-,16-,17-,18+,22-/m1/s1 | 別名: | Tartryl-CoA | 定義日: | 2020-04-01 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20,21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) |
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![MXK MXK](https://data.pdbj.org/pdbjplus/data/cc/svg/MXK.svg) | MXK | 表記: | (2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid
e | 組成式: | C18 H21 N7 O2 | SMILES: | Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2 | InChi: | InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m0/s1 | 別名: | 2-(N-hydroxyimino)-N-[(1S)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide | 定義日: | 2019-10-29 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | (2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide |
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![P0B P0B](https://data.pdbj.org/pdbjplus/data/cc/svg/P0B.svg) | P0B | 表記: | 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione | 組成式: | C13 H13 Cl F N3 O2 | SMILES: | CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl | InChi: | InChI=1S/C13H13ClFN3O2/c1-18(6-8-5-12(19)17-13(20)16-8)7-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3,(H2,16,17,19,20) | 定義日: | 2020-04-14 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione |
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![P0K P0K](https://data.pdbj.org/pdbjplus/data/cc/svg/P0K.svg) | P0K | 表記: | 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione | 組成式: | C11 H13 N3 O3 | SMILES: | CN(CC1=NC(=O)NC(=O)C1)Cc2occc2 | InChi: | InChI=1S/C11H13N3O3/c1-14(7-9-3-2-4-17-9)6-8-5-10(15)13-11(16)12-8/h2-4H,5-7H2,1H3,(H,13,15,16) | 定義日: | 2020-04-14 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
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![P0N P0N](https://data.pdbj.org/pdbjplus/data/cc/svg/P0N.svg) | P0N | 表記: | (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine | 組成式: | C12 H16 Cl N O | SMILES: | CC1(C)CO[CH](CN1)c2ccccc2Cl | InChi: | InChI=1S/C12H16ClNO/c1-12(2)8-15-11(7-14-12)9-5-3-4-6-10(9)13/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1 | 定義日: | 2020-04-14 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine |
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![P0Q P0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/P0Q.svg) | P0Q | 表記: | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine | 組成式: | C13 H18 Cl N O | SMILES: | C[CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2 | InChi: | InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t9-,12+/m1/s1 | 定義日: | 2020-04-14 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine |
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![P0W P0W](https://data.pdbj.org/pdbjplus/data/cc/svg/P0W.svg) | P0W | 表記: | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione | 組成式: | C16 H17 N5 O2 | SMILES: | CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3 | InChi: | InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23) | 定義日: | 2020-04-14 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione |
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![P0Z P0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/P0Z.svg) | P0Z | 表記: | 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide | 組成式: | C17 H25 N3 O3 | SMILES: | CNC(=O)NC(=O)CCN1C[CH](OCC1(C)C)c2ccccc2 | InChi: | InChI=1S/C17H25N3O3/c1-17(2)12-23-14(13-7-5-4-6-8-13)11-20(17)10-9-15(21)19-16(22)18-3/h4-8,14H,9-12H2,1-3H3,(H2,18,19,21,22)/t14-/m0/s1 | 定義日: | 2020-04-14 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide |
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![E60 E60](https://data.pdbj.org/pdbjplus/data/cc/svg/E60.svg) | E60 | 表記: | 2-sulfanylidene-1,3-thiazolidin-4-one | 組成式: | C3 H3 N O S2 | SMILES: | O=C1CSC(=S)N1 | InChi: | InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) | 定義日: | 2019-10-24 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | 2-sulfanylidene-1,3-thiazolidin-4-one |
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![F1R F1R](https://data.pdbj.org/pdbjplus/data/cc/svg/F1R.svg) | F1R | 表記: | N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine | 組成式: | C21 H23 Cl N8 O | SMILES: | COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc4nc(N)nc(N)n4)c2c1 | InChi: | InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30) | 定義日: | 2020-03-12 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | ~{N}4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine |
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![F7C F7C](https://data.pdbj.org/pdbjplus/data/cc/svg/F7C.svg) | F7C | 表記: | (2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid | 組成式: | C4 H4 O6 | SMILES: | O[CH](C(O)=O)C(=O)C(O)=O | InChi: | InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)/t1-/m0/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | (2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid |
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![F7F F7F](https://data.pdbj.org/pdbjplus/data/cc/svg/F7F.svg) | F7F | 表記: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE | 組成式: | C17 H21 N4 O10 P | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34ON4c2cc1C | InChi: | InChI=1S/C17H21N4O10P/c1-7-3-9-10(4-8(7)2)21-17(31-21)14(18-16(26)19-15(17)25)20(9)5-11(22)13(24)12(23)6-30-32(27,28)29/h3-4,11-13,22-24H,5-6H2,1-2H3,(H,19,25,26)(H2,27,28,29)/t11-,12+,13-,17+,21+/m1/s1 | 定義日: | 2020-04-06 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 |
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![D8L D8L](https://data.pdbj.org/pdbjplus/data/cc/svg/D8L.svg) | D8L | 表記: | (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid | 組成式: | C12 H13 N O2 S | SMILES: | CS[CH](Cc1c[nH]c2ccccc12)C(O)=O | InChi: | InChI=1S/C12H13NO2S/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15)/t11-/m1/s1 | 定義日: | 2019-07-19 | 最終更新日: | 2020-07-10 | 公開日: | 2020-07-15 | 識別子(ID): | (2~{R})-3-(1~{H}-indol-3-yl)-2-methylsulfanyl-propanoic acid |
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![NDQ NDQ](https://data.pdbj.org/pdbjplus/data/cc/svg/NDQ.svg) | NDQ | 表記: | 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate | 組成式: | C12 H19 N4 O8 P2 S | SMILES: | COc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1 | InChi: | InChI=1S/C12H18N4O8P2S/c1-8-10(3-4-23-26(20,21)24-25(17,18)19)27-7-16(8)6-9-5-14-12(22-2)15-11(9)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1 | 定義日: | 2019-11-26 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate |
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![UCV UCV](https://data.pdbj.org/pdbjplus/data/cc/svg/UCV.svg) | UCV | 表記: | 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea | 組成式: | C6 H15 N3 O | SMILES: | CC(C)[CH](N)CNC(N)=O | InChi: | InChI=1S/C6H15N3O/c1-4(2)5(7)3-9-6(8)10/h4-5H,3,7H2,1-2H3,(H3,8,9,10)/t5-/m1/s1 | 定義日: | 2018-08-22 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea |
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![RVY RVY](https://data.pdbj.org/pdbjplus/data/cc/svg/RVY.svg) | RVY | 表記: | (5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione | 組成式: | C14 H14 N4 O2 | SMILES: | n2(c1ccccc1)cc(nn2)CC3(C(CC(N3)=O)=O)C | InChi: | InChI=1S/C14H14N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,20)/t14-/m0/s1 | 定義日: | 2020-02-27 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | (5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione |
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![RW7 RW7](https://data.pdbj.org/pdbjplus/data/cc/svg/RW7.svg) | RW7 | 表記: | (3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione | 組成式: | C14 H18 N2 O2 | SMILES: | N2c1ccccc1C(=O)N(C)C(C)(CCC)C2=O | InChi: | InChI=1S/C14H18N2O2/c1-4-9-14(2)13(18)15-11-8-6-5-7-10(11)12(17)16(14)3/h5-8H,4,9H2,1-3H3,(H,15,18)/t14-/m0/s1 | 定義日: | 2020-02-27 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | (3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
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![RWA RWA](https://data.pdbj.org/pdbjplus/data/cc/svg/RWA.svg) | RWA | 表記: | (5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione | 組成式: | C16 H18 N4 O2 | SMILES: | n3n(c1ccccc1)cc(CC2(NC(=O)C(C2=O)(C)C)C)n3 | InChi: | InChI=1S/C16H18N4O2/c1-15(2)13(21)16(3,17-14(15)22)9-11-10-20(19-18-11)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,22)/t16-/m1/s1 | 定義日: | 2020-02-27 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | (5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione |
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![RWD RWD](https://data.pdbj.org/pdbjplus/data/cc/svg/RWD.svg) | RWD | 表記: | (4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one | 組成式: | C14 H16 N4 O2 | SMILES: | n1(cc(nn1)CC2(C)NC(CC2O)=O)c3ccccc3 | InChi: | InChI=1S/C14H16N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8H2,1H3,(H,15,20)/t12-,14+/m0/s1 | 定義日: | 2020-02-27 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | (4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one |
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![GTH GTH](https://data.pdbj.org/pdbjplus/data/cc/svg/GTH.svg) | GTH | 表記: | 3-O-GLUCOPYRANOSYL-THREONINE-[2-DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE] | 組成式: | C18 H32 N2 O13 | SMILES: | O=C(O)C(N)C(OC2OC(C(O)C(OC1OC(C(O)C(O)C1O)CO)C2NC(=O)C)CO)C | InChi: | InChI=1S/C18H32N2O13/c1-5(9(19)16(28)29)30-17-10(20-6(2)23)15(12(25)8(4-22)31-17)33-18-14(27)13(26)11(24)7(3-21)32-18/h5,7-15,17-18,21-22,24-27H,3-4,19H2,1-2H3,(H,20,23)(H,28,29)/t5-,7-,8-,9+,10-,11+,12+,13+,14-,15-,17-,18+/m1/s1 | 別名: | GLYCOSYLATED THREONINE | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-03 | 識別子(ID): | (2S,3R)-3-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name) |
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![RWG RWG](https://data.pdbj.org/pdbjplus/data/cc/svg/RWG.svg) | RWG | 表記: | (5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione | 組成式: | C14 H13 F N4 O2 | SMILES: | n2nn(c1ccc(F)cc1)cc2CC3(C)NC(=O)CC3=O | InChi: | InChI=1S/C14H13FN4O2/c1-14(12(20)6-13(21)16-14)7-10-8-19(18-17-10)11-4-2-9(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,21)/t14-/m1/s1 | 定義日: | 2020-02-27 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | (5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione |
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![RWM RWM](https://data.pdbj.org/pdbjplus/data/cc/svg/RWM.svg) | RWM | 表記: | (5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione | 組成式: | C15 H14 N2 O3 | SMILES: | n2c(cc(CC1(C)NC(CC1=O)=O)o2)c3ccccc3 | InChi: | InChI=1S/C15H14N2O3/c1-15(13(18)8-14(19)16-15)9-11-7-12(17-20-11)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,19)/t15-/m0/s1 | 定義日: | 2020-02-27 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | (5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione |
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![NG5 NG5](https://data.pdbj.org/pdbjplus/data/cc/svg/NG5.svg) | NG5 | 表記: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | 組成式: | C28 H24 F N7 O2 | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6F | InChi: | InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18- | 定義日: | 2019-11-29 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide |
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![NW2 NW2](https://data.pdbj.org/pdbjplus/data/cc/svg/NW2.svg) | NW2 | 表記: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid | 組成式: | C27 H29 N O5 | SMILES: | COc1cccc(C(O)=O)c1OCCc2cc(cc(c2)c3ccc4OC[CH](N)c4c3)C(C)C | InChi: | InChI=1S/C27H29NO5/c1-16(2)19-11-17(9-10-32-26-21(27(29)30)5-4-6-25(26)31-3)12-20(13-19)18-7-8-24-22(14-18)23(28)15-33-24/h4-8,11-14,16,23H,9-10,15,28H2,1-3H3,(H,29,30)/t23-/m1/s1 | 定義日: | 2019-12-20 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid |
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![NW5 NW5](https://data.pdbj.org/pdbjplus/data/cc/svg/NW5.svg) | NW5 | 表記: | 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid | 組成式: | C27 H26 N2 O4 | SMILES: | CC(C)(C#N)c1cc(COc2ccccc2CC(O)=O)cc(c1)c3ccc4OC[CH](N)c4c3 | InChi: | InChI=1S/C27H26N2O4/c1-27(2,16-28)21-10-17(14-32-24-6-4-3-5-19(24)13-26(30)31)9-20(11-21)18-7-8-25-22(12-18)23(29)15-33-25/h3-12,23H,13-15,29H2,1-2H3,(H,30,31)/t23-/m1/s1 | 定義日: | 2019-12-20 | 最終更新日: | 2020-07-03 | 公開日: | 2020-07-08 | 識別子(ID): | 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid |
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