 | | XDL | | 表記: | XYLOSE-DERIVED ISOFAGOMINE LACTAM | | 組成式: | C5 H9 N O2 | | SMILES: | O=C1NCCCC1O | | InChi: | InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1 | | 別名: | (3S)-3-HYDROXYPIPERIDIN-2-ONE | | 定義日: | 2003-02-14 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (3S)-3-hydroxypiperidin-2-one |
|
 | | RNB | | 表記: | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde | | 組成式: | C18 H23 Cl O3 | | SMILES: | Clc1c(c(c(O)c(c1O)CC=C(/C)CCC=C(/C)C)C=O)C | | InChi: | InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+ | | 別名: | Colletochlorin B | | 定義日: | 2013-01-31 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-03-13 | | 識別子(ID): | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde |
|
 | | S1T | | 表記: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | | 組成式: | C15 H23 N3 O8 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C | | InChi: | InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m0/s1 | | 別名: | 2-[(1S)-1-HYDROXYETHYL]-3-DEAZA-THDP | | 定義日: | 2007-06-18 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate |
|
 | | QV7 | | 表記: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid | | 組成式: | C22 H16 N4 O13 S4 | | SMILES: | O=S(=O)(O)c4ccc(/N=N/c3ccc(/N=N/c2c1c(cc(cc1)S(=O)(=O)O)cc(c2O)S(=O)(=O)O)c(c3)S(=O)(=O)O)cc4 | | InChi: | InChI=1S/C22H16N4O13S4/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/b24-23+,26-25+ | | 別名: | Ponceau S | | 定義日: | 2011-03-01 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid |
|
 | | XDR | | 表記: | hexyl
(5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c
yclopenta[e]-as-indacene-6-carboxylate | | 組成式: | C32 H29 N3 O5 | | SMILES: | O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC8(O)C(=O)OCCCCCC)C | | InChi: | InChI=1S/C32H29N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,17,23,38H,3-5,10,15-16H2,1-2H3/t23-,31+,32+/m1/s1 | | 別名: | KT5720 | | 定義日: | 2008-11-12 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate |
|
 | | Y5P | | 表記: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine | | 組成式: | C9 H15 N2 O7 P | | SMILES: | O=P(O)(O)OCC2OC(N1C=NCC=C1)C(O)C2O | | InChi: | InChI=1S/C9H15N2O7P/c12-7-6(4-17-19(14,15)16)18-9(8(7)13)11-3-1-2-10-5-11/h1,3,5-9,12-13H,2,4H2,(H2,14,15,16)/t6-,7-,8-,9-/m1/s1 | | 別名: | PYRIMIDINE RIBOSIDE-5'-MONOPHOSPHATE | | 定義日: | 2014-09-25 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-10-08 | | 識別子(ID): | 1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine |
|
 | | 5WN | | 表記: | 3-[(sulfamoylamino)methyl]-1-benzothiophene | | 組成式: | C9 H10 N2 O2 S2 | | SMILES: | N[S](=O)(=O)NCc1csc2ccccc12 | | InChi: | InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13) | | 別名: | JNJ-26990990 | | 定義日: | 2015-12-16 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-05-18 | | 識別子(ID): | 3-[(sulfamoylamino)methyl]-1-benzothiophene |
|
 | | SVR | | 表記: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON
IC ACID | | 組成式: | C51 H40 N6 O23 S6 | | SMILES: | O=S(=O)(O)c1c2c(cc(c1)S(=O)(=O)O)c(ccc2NC(=O)c3cc(c(cc3)C)NC(=O)c4cc(ccc4)NC(=O)Nc5cccc(c5)C(=O)Nc6c(ccc(c6)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)O | | InChi: | InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80) | | 別名: | SURAMIN | | 定義日: | 2004-12-15 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 8-[(4-methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]naphthalene-1,3,5-trisulfonic acid |
|
 | | B33 | | 表記: | N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE | | 組成式: | C11 H27 N3 | | SMILES: | N(CCC)CCCNCCCNCC | | InChi: | InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3 | | 別名: | BE3 | | 定義日: | 2006-01-03 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine |
|
 | | ZZZ | | 表記: | 6-FORMYLTETRAHYDROPTERIN | | 組成式: | C7 H9 N5 O2 | | SMILES: | O=CC1NC=2C(=O)NC(=NC=2NC1)N | | InChi: | InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-3,10H,1H2,(H4,8,9,11,12,14)/t3-/m1/s1 | | 別名: | (6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE | | 定義日: | 2006-02-21 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carbaldehyde |
|
 | | RNO | | 表記: | (R)-PARA-NITROSTYRENE OXIDE | | 組成式: | C8 H7 N O3 | | SMILES: | [O-][N+](=O)c1ccc(cc1)C2OC2 | | InChi: | InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1 | | 別名: | (2R)-2-(4-NITROPHENYL)OXIRANE | | 定義日: | 2005-05-20 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (2R)-2-(4-nitrophenyl)oxirane |
|
 | | B36 | | 表記: | 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline | | 組成式: | C31 H28 N2 O | | SMILES: | O=C(c3c1ccccc1cc2ccccc23)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6 | | InChi: | InChI=1S/C31H28N2O/c1-21-10-12-26-19-23(11-13-29(26)32-21)18-22-14-16-33(17-15-22)31(34)30-27-8-4-2-6-24(27)20-25-7-3-5-9-28(25)30/h2-13,19-20,22H,14-18H2,1H3 | | 別名: | Anthracen-9-yl-[4-(2-methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-methanon | | 定義日: | 2009-04-17 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline |
|
 | | B37 | | 表記: | 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline | | 組成式: | C32 H29 N3 O | | SMILES: | O=C(c2c3ccccc3nc(c1ccccc1)c2)N6CCC(Cc5cc4ccc(nc4cc5)C)CC6 | | InChi: | InChI=1S/C32H29N3O/c1-22-11-13-26-20-24(12-14-29(26)33-22)19-23-15-17-35(18-16-23)32(36)28-21-31(25-7-3-2-4-8-25)34-30-10-6-5-9-27(28)30/h2-14,20-21,23H,15-19H2,1H3 | | 別名: | [4-(2-Methyl-quinolin-6-ylmethyl)-piperidin-1-yl]-(2-phenyl-quinolin-4-yl)-methanon | | 定義日: | 2009-04-17 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline |
|
 | | TP0 | | 表記: | Amitriptyline | | 組成式: | C20 H23 N | | SMILES: | c3cc2c(/C(c1c(cccc1)CC2)=C/CCN(C)C)cc3 | | InChi: | InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | | 別名: | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine | | 定義日: | 2010-11-09 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine |
|
 | | RNR | | 表記: | 3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine | | 組成式: | C27 H31 F2 N5 O2 | | SMILES: | O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5 | | InChi: | InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m1/s1 | | 別名: | N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide} | | 定義日: | 2010-07-27 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide} |
|
 | | S26 | | 表記: | ethyl
(2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate | | 組成式: | C18 H13 Cl N2 O4 S2 | | SMILES: | CCOC(=O)C1=C(O)C(=O)N([CH]1c2sccc2)c3sc4cc(Cl)ccc4n3 | | InChi: | InChI=1S/C18H13ClN2O4S2/c1-2-25-17(24)13-14(11-4-3-7-26-11)21(16(23)15(13)22)18-20-10-6-5-9(19)8-12(10)27-18/h3-8,14,22H,2H2,1H3/t14-/m1/s1 | | 別名: | PS267 | | 定義日: | 2016-12-22 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-01-18 | | 識別子(ID): | ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate |
|
 | | SGS | | 表記: | (E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL
3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE | | 組成式: | C17 H22 O10 | | SMILES: | O=C(OC1OC(C(O)C(O)C1O)CO)C=Cc2cc(OC)c(O)c(OC)c2 | | InChi: | InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1 | | 別名: | 1-O-SINAPOYL-BETA-D-GLUCOSE | | 定義日: | 2006-06-13 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose |
|
 | | U51 | | 表記: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid | | 組成式: | C20 H32 N2 O2 | | SMILES: | O=C(O)CCC/C=CCC2C1N=NC(C1)C2/C=C/CCCCCC | | InChi: | InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1 | | 別名: | 9,11-AZOPROSTA-5Z,13E-DIEN-1-OIC ACID | | 定義日: | 2005-11-11 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid |
|
 | | SGV | | 表記: | SANGIVAMYCIN | | 組成式: | C12 H15 N5 O5 | | SMILES: | O=C(c2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N)N | | InChi: | InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1 | | 別名: | 4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide | | 定義日: | 2010-07-27 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
|
 | | TP3 | | 表記: | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE | | 組成式: | C17 H20 N2 O9 S | | SMILES: | O=C(O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2 | | InChi: | InChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1 | | 別名: | SP-722 | | 定義日: | 2000-06-13 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | N-[(4-{[(2R)-2-carboxypyrrolidin-1-yl]sulfonyl}phenyl)carbonyl]-L-glutamic acid |
|
 | | TP4 | | 表記: | N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID | | 組成式: | C20 H25 N3 O10 S | | SMILES: | O=C(NCCC(=O)O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2 | | InChi: | InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1 | | 別名: | SP-876 | | 定義日: | 2000-06-13 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 1-[(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)sulfonyl]-D-prolyl-beta-alanine |
|
 | | TP8 | | 表記: | 5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-1-EN-1-YL]-3-{[(4Z)-4-IMINO-2-
METHYL-4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-4-METHYL-1,3-THIAZOL-3-IUM | | 組成式: | C15 H21 N4 O12 P3 S | | SMILES: | CC1=NC(=N)[CH](C[n+]2c(C)c(CCO[P]([O-])(=O)O[P](O)([O-])=O)sc2C(O)=CCO[P](O)([O-])=O)C=N1 | | InChi: | InChI=1S/C15H23N4O12P3S/c1-9-13(4-6-30-34(27,28)31-33(24,25)26)35-15(12(20)3-5-29-32(21,22)23)19(9)8-11-7-17-10(2)18-14(11)16/h3,7,11,16H,4-6,8H2,1-2H3,(H5-,20,21,22,23,24,25,26,27,28)/p-2/b12-3-,16-14+ | | 別名: | PUTATIVE ENOL(ATE)-THDP REACTION INTERMEDIATE | | 定義日: | 2006-10-13 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | [(Z)-3-hydroxy-3-[5-[2-[(hydroxy-oxido-phosphoryl)oxy-oxido-phosphoryl]oxyethyl]-3-[[(5S)-4-imino-2-methyl-5H-pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-2-yl]prop-2-enyl] hydrogen phosphate |
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 | | VPA | | 表記: | 2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethylamidine | | 組成式: | C19 H28 N2 O9 | | SMILES: | O(CC2OC(NC(=[N@H])Cc1ccccc1)C(O)C(O)C2O)C3OCC(O)C(O)C3O | | InChi: | InChI=1S/C19H28N2O9/c20-12(6-9-4-2-1-3-5-9)21-18-16(26)15(25)14(24)11(30-18)8-29-19-17(27)13(23)10(22)7-28-19/h1-5,10-11,13-19,22-27H,6-8H2,(H2,20,21)/t10-,11-,13+,14-,15+,16-,17-,18-,19+/m1/s1 | | 別名: | 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]e
thanimidamide | | 定義日: | 2014-01-31 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-04-23 | | 識別子(ID): | N-[(1E)-2-phenylethanimidoyl]-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosylamine |
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 | | RO0 | | 表記: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE | | 組成式: | C33 H38 N2 O5 | | SMILES: | O(c1ccc(cc1OC)Cc3ncc(c2cc(OC)c(OC)cc23)CN5CCC(c4ccccc4OC)CC5)C | | InChi: | InChI=1S/C33H38N2O5/c1-36-29-9-7-6-8-25(29)23-12-14-35(15-13-23)21-24-20-34-28(16-22-10-11-30(37-2)31(17-22)38-3)27-19-33(40-5)32(39-4)18-26(24)27/h6-11,17-20,23H,12-16,21H2,1-5H3 | | 別名: | ISOQUINOLINE DERIVATIVE PA-082 | | 定義日: | 2006-02-03 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline |
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 | | RO2 | | 表記: | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL | | 組成式: | C24 H23 N7 O | | SMILES: | n2c(N1CCN(C)CC1)ccc3nc(nc23)c6ccc5nc(c4cccc(O)c4)nc5c6 | | InChi: | InChI=1S/C24H23N7O/c1-30-9-11-31(12-10-30)21-8-7-19-24(28-21)29-23(26-19)16-5-6-18-20(14-16)27-22(25-18)15-3-2-4-17(32)13-15/h2-8,13-14,32H,9-12H2,1H3,(H,25,27)(H,26,28,29) | | 別名: | META-OH(N) HOECHST | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子(ID): | 3-{6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl}phenol |
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