![K7J K7J](https://data.pdbj.org/pdbjplus/data/cc/svg/K7J.svg) | K7J | 表記: | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide | 組成式: | C25 H35 Cl N4 O7 | SMILES: | O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2 | InChi: | InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1 | 別名: | SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE | 定義日: | 2007-11-12 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide |
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![UTX UTX](https://data.pdbj.org/pdbjplus/data/cc/svg/UTX.svg) | UTX | 表記: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide | 組成式: | C21 H29 B12 N6 O5 S | SMILES: | ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21 | InChi: | InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1 | 別名: | UTX-97 | 定義日: | 2016-12-08 | 最終更新日: | 2021-03-01 | 公開日: | 2017-06-28 |
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![TNC TNC](https://data.pdbj.org/pdbjplus/data/cc/svg/TNC.svg) | TNC | 表記: | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE | 組成式: | C21 H20 N2 O6 | SMILES: | O=C(N)C4=C(O)C3=C(O)c2c(O)c1c(O)cccc1cc2CC3C(N(C)C)C4=O | InChi: | InChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m1/s1 | 別名: | DEHYDRATED SANCYCLINE | 定義日: | 2003-01-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | (4S,4aR)-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydrotetracene-2-carboxamide |
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![04M 04M](https://data.pdbj.org/pdbjplus/data/cc/svg/04M.svg) | 04M | 表記: | 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid | 組成式: | C26 H35 N O7 S | SMILES: | O=S(=O)(N1CCOCC1)c3cc(C(=O)O)c(OCc2cccc(OCCCCCCCC)c2)cc3 | InChi: | InChI=1S/C26H35NO7S/c1-2-3-4-5-6-7-15-33-22-10-8-9-21(18-22)20-34-25-12-11-23(19-24(25)26(28)29)35(30,31)27-13-16-32-17-14-27/h8-12,18-19H,2-7,13-17,20H2,1H3,(H,28,29) | 別名: | BPH-1158 | 定義日: | 2011-06-16 | 最終更新日: | 2021-03-01 | 公開日: | 2016-09-07 | 識別子(ID): | 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid |
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![TNN TNN](https://data.pdbj.org/pdbjplus/data/cc/svg/TNN.svg) | TNN | 表記: | (1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione | 組成式: | C27 H19 N O8 | SMILES: | CC(O)C15OC16c4cc(O)c3C(=O)c2ccc(OC)c(O)c2C(=O)c3c4NC5C#CC=CC#CC6O | InChi: | InChI=1S/C27H19NO8/c1-12(29)26-17-7-5-3-4-6-8-18(31)27(26,36-26)14-11-15(30)20-21(22(14)28-17)25(34)19-13(23(20)32)9-10-16(35-2)24(19)33/h3-4,9-12,17-18,28-31,33H,1-2H3/b4-3-/t12-,17+,18-,26+,27+/m1/s1 | 別名: | tiancimycin | 定義日: | 2017-02-09 | 最終更新日: | 2021-03-01 | 公開日: | 2018-07-04 | 識別子(ID): | (1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione |
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![S02 S02](https://data.pdbj.org/pdbjplus/data/cc/svg/S02.svg) | S02 | 表記: | PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER | 組成式: | C18 H31 O7 P | SMILES: | O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2 | InChi: | InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1 | 別名: | STILBENEDIETHER NUCLEOTIDE LINKER | 定義日: | 1999-08-18 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate |
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![SU1 SU1](https://data.pdbj.org/pdbjplus/data/cc/svg/SU1.svg) | SU1 | 表記: | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE | 組成式: | C17 H16 N2 O3 | SMILES: | O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C | InChi: | InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8- | 別名: | SU5402 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid |
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![OCH OCH](https://data.pdbj.org/pdbjplus/data/cc/svg/OCH.svg) | OCH | 表記: | QUINOLIN-2(1H)-ONE | 組成式: | C9 H7 N O | SMILES: | O=C2C=Cc1c(cccc1)N2 | InChi: | InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11) | 別名: | 2-OXOQUINOLINE | 定義日: | 2005-03-17 | 最終更新日: | 2021-03-01 | 識別子(ID): | quinolin-2(1H)-one |
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![5R2 5R2](https://data.pdbj.org/pdbjplus/data/cc/svg/5R2.svg) | 5R2 | 表記: | 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | 組成式: | C37 H50 N6 O9 S | SMILES: | CCc1nc2ccc(OC)cc2nc1O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)NC(=O)OC(C)(C)C | InChi: | InChI=1S/C37H50N6O9S/c1-6-26-32(39-29-18-23(50-5)14-17-27(29)38-26)51-24-19-30-31(44)41-37(34(46)42-53(48,49)25-15-16-25)20-22(37)12-10-8-7-9-11-13-28(33(45)43(30)21-24)40-35(47)52-36(2,3)4/h10,12,14,17-18,22,24-25,28,30H,6-9,11,13,15-16,19-21H2,1-5H3,(H,40,47)(H,41,44)(H,42,46)/b12-10+/t22-,24+,28-,30-,37+/m0/s1 | 別名: | MK-5172 P1-P3 macrocyclic analogue | 定義日: | 2015-11-12 | 最終更新日: | 2021-03-01 | 公開日: | 2016-01-13 |
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![5RL 5RL](https://data.pdbj.org/pdbjplus/data/cc/svg/5RL.svg) | 5RL | 表記: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol | 組成式: | C17 H17 N O2 | SMILES: | CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34 | InChi: | InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1 | 別名: | Apomorphine | 定義日: | 2015-11-17 | 最終更新日: | 2021-03-01 | 公開日: | 2016-06-08 | 識別子(ID): | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol |
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![5RS 5RS](https://data.pdbj.org/pdbjplus/data/cc/svg/5RS.svg) | 5RS | 表記: | ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | 組成式: | C36 H52 N6 O9 S | SMILES: | CC[CH]1C[C]1(NC(=O)[CH]2C[CH](CN2C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)Oc3nc4cc(OC)ccc4nc3CC)C(=O)N[S](=O)(=O)C5CC5 | InChi: | InChI=1S/C36H52N6O9S/c1-10-20-18-36(20,32(45)41-52(47,48)23-13-14-23)40-29(43)27-17-22(50-30-24(11-2)37-25-15-12-21(49-9)16-26(25)38-30)19-42(27)31(44)28(34(3,4)5)39-33(46)51-35(6,7)8/h12,15-16,20,22-23,27-28H,10-11,13-14,17-19H2,1-9H3,(H,39,46)(H,40,43)(H,41,45)/t20-,22-,27+,28-,36-/m1/s1 | 別名: | MK-5172 linear analogue | 定義日: | 2015-11-18 | 最終更新日: | 2021-03-01 | 公開日: | 2016-01-13 | 識別子(ID): | ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate |
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![X6K X6K](https://data.pdbj.org/pdbjplus/data/cc/svg/X6K.svg) | X6K | 表記: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL | 組成式: | C19 H16 N4 O3 | SMILES: | n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5 | InChi: | InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | 別名: | PI-103 | 定義日: | 2010-02-17 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol |
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![ZPR ZPR](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPR.svg) | ZPR | 表記: | N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL | 組成式: | C18 H22 N2 O4 | SMILES: | O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3 | InChi: | InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1 | 別名: | Z-PRO-PROLINAL | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate |
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![NLX NLX](https://data.pdbj.org/pdbjplus/data/cc/svg/NLX.svg) | NLX | 表記: | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM | 組成式: | C20 H24 N O4 | SMILES: | O=C5C3Oc1c2c(ccc1O)CC4C(O)(C23CC[N+]4(C)C/C=C)CC5 | InChi: | InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1 | 別名: | N-METHYLNALOXONIUM | 定義日: | 2002-10-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | (5alpha,17S)-3,14-dihydroxy-17-methyl-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium |
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![SY2 SY2](https://data.pdbj.org/pdbjplus/data/cc/svg/SY2.svg) | SY2 | 表記: | N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine | 組成式: | C24 H41 N5 O6 | SMILES: | O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C | InChi: | InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1 | 別名: | Syringolin B | 定義日: | 2009-03-30 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine |
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![PPB PPB](https://data.pdbj.org/pdbjplus/data/cc/svg/PPB.svg) | PPB | 表記: | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | 組成式: | C23 H27 B N4 O4 | SMILES: | O=C(NC(B(O)O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | InChi: | InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1 | 別名: | (D)PHE-PRO-BOROPHE(M-CN) | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | D-phenylalanyl-N-[(1R)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-L-prolinamide |
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![S4E S4E](https://data.pdbj.org/pdbjplus/data/cc/svg/S4E.svg) | S4E | 表記: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | 組成式: | C24 H30 N6 O3 | SMILES: | COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC5CCNCC5 | InChi: | InChI=1S/C24H30N6O3/c1-31-21-11-20-19(10-22(21)33-14-17-4-7-25-8-5-17)23(29-15-28-20)30-18-12-26-24(27-13-18)32-9-6-16-2-3-16/h10-13,15-17,25H,2-9,14H2,1H3,(H,28,29,30) | 別名: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | 定義日: | 2020-11-06 | 最終更新日: | 2021-03-01 | 公開日: | 2021-03-03 | 識別子(ID): | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine |
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![TDS TDS](https://data.pdbj.org/pdbjplus/data/cc/svg/TDS.svg) | TDS | 表記: | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE | 組成式: | C25 H38 O5 | SMILES: | O=C1c2c(OC(=C1C)CCCCCCCCCCCCC)c(O)c(OC)cc2OC | InChi: | InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-18(2)23(26)22-20(28-3)17-21(29-4)24(27)25(22)30-19/h17,27H,5-16H2,1-4H3 | 別名: | TRIDECYL-STIGMATELLIN | 定義日: | 2003-10-02 | 最終更新日: | 2021-03-01 | 識別子(ID): | 8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4H-chromen-4-one |
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![ZAH ZAH](https://data.pdbj.org/pdbjplus/data/cc/svg/ZAH.svg) | ZAH | 表記: | N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE | 組成式: | C16 H20 N2 O5 | SMILES: | O=C(O)C2N(C(=O)C(NC(=O)OCc1ccccc1)C)CCC2 | InChi: | InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1 | 別名: | Z-ALA PROLINAL | 定義日: | 2005-02-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(benzyloxy)carbonyl]-L-alanyl-L-proline |
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![XRA XRA](https://data.pdbj.org/pdbjplus/data/cc/svg/XRA.svg) | XRA | 表記: | 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine | 組成式: | C19 H21 N5 O4 | SMILES: | O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4 | InChi: | InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | 別名: | Prazosin | 定義日: | 2010-09-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone |
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![PC1 PC1](https://data.pdbj.org/pdbjplus/data/cc/svg/PC1.svg) | PC1 | 表記: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE | 組成式: | C44 H88 N O8 P | SMILES: | O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1 | 別名: | 3-SN-PHOSPHATIDYLCHOLINE | 定義日: | 2003-07-09 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate |
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![O2Y O2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/O2Y.svg) | O2Y | 表記: | 3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid | 組成式: | C8 H7 N O4 S | SMILES: | O=C(CSc1c(nccc1)C(=O)O)O | InChi: | InChI=1S/C8H7NO4S/c10-6(11)4-14-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13) | 別名: | 3-(carboxymethylthio)picolinic acid | 定義日: | 2019-06-05 | 最終更新日: | 2021-03-01 | 公開日: | 2019-09-18 | 識別子(ID): | 3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid |
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![TTG TTG](https://data.pdbj.org/pdbjplus/data/cc/svg/TTG.svg) | TTG | 表記: | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID | 組成式: | C23 H25 N3 O6 | SMILES: | O=C(O)C(O)(C=4C=C3c2nc1ccc(O)c(c1cc2CN3C(=O)C=4CO)CN(C)C)CC | InChi: | InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/t23-/m0/s1 | 別名: | HYDROLYZED PRODUCT OF TOPOTECAN | 定義日: | 2002-01-15 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-2-{1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid |
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![NOJ NOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NOJ.svg) | NOJ | 表記: | 1-DEOXYNOJIRIMYCIN | 組成式: | C6 H13 N O4 | SMILES: | OC1C(NCC(O)C1O)CO | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 | 別名: | MORANOLINE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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![ZD6 ZD6](https://data.pdbj.org/pdbjplus/data/cc/svg/ZD6.svg) | ZD6 | 表記: | Vandetanib | 組成式: | C22 H24 Br F N4 O2 | SMILES: | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4 | InChi: | InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | 別名: | ZD6474 | 定義日: | 2006-06-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | ~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
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