![P06 P06](https://data.pdbj.org/pdbjplus/data/cc/svg/P06.svg) | P06 | Name: | Dabrafenib | Formula: | C23 H20 F3 N5 O2 S2 | SMILES: | c4(N)nc(c1c(nc(s1)C(C)(C)C)c2c(c(ccc2)NS(=O)(=O)c3c(cccc3F)F)F)ccn4 | InChi: | InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) | Synonyms: | N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide | Definition date: | 2013-04-11 | Last modified: | 2021-03-13 | Release date: | 2015-10-28 | Identifier: | N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
|
![P0C P0C](https://data.pdbj.org/pdbjplus/data/cc/svg/P0C.svg) | P0C | Name: | 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one | Formula: | C12 H15 N3 O5 | SMILES: | O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)C=C(N3)C | InChi: | InChI=1S/C12H15N3O5/c1-5-2-6-3-15(12(19)14-10(6)13-5)11-9(18)8(17)7(4-16)20-11/h2-3,7-9,11,16-18H,4H2,1H3,(H,13,14,19)/t7-,8-,9-,11-/m1/s1 | Synonyms: | 6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one | Definition date: | 2014-05-16 | Last modified: | 2021-03-13 | Release date: | 2014-08-13 | Identifier: | 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one |
|
![P0T P0T](https://data.pdbj.org/pdbjplus/data/cc/svg/P0T.svg) | P0T | Name: | cannabidiol | Formula: | C21 H30 O2 | SMILES: | C(=C)(C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC)O | InChi: | InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1 | Synonyms: | (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol | Definition date: | 2019-01-16 | Last modified: | 2021-03-13 | Release date: | 2019-10-16 | Identifier: | (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol |
|
![P1G P1G](https://data.pdbj.org/pdbjplus/data/cc/svg/P1G.svg) | P1G | Name: | ((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID | Formula: | C12 H16 N5 O8 P | SMILES: | O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)CP(=O)(O)O)CO)N | InChi: | InChI=1S/C12H16N5O8P/c13-12-15-9-6(10(19)16-12)14-3-17(9)11-8-7(4(1-18)23-11)24-5(25-8)2-26(20,21)22/h3-5,7-8,11,18H,1-2H2,(H2,20,21,22)(H3,13,15,16,19)/t4-,5-,7-,8-,11-/m1/s1 | Synonyms: | GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE | Definition date: | 2005-08-04 | Last modified: | 2021-03-13 | Identifier: | 2',3'-O-[(1R)-2-phosphonoethylidene]guanosine |
|
![P2C P2C](https://data.pdbj.org/pdbjplus/data/cc/svg/P2C.svg) | P2C | Name: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID | Formula: | C13 H9 Cl2 N O5 | SMILES: | Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O | InChi: | InChI=1S/C13H9Cl2NO5/c14-9-5-7(6-10(15)12(9)20-21-19)16-11-4-2-1-3-8(11)13(17)18/h1-6,16,19H,(H,17,18) | Synonyms: | 2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID | Definition date: | 2004-08-17 | Last modified: | 2021-03-13 | Identifier: | 2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid |
|
![P4K P4K](https://data.pdbj.org/pdbjplus/data/cc/svg/P4K.svg) | P4K | Name: | polyethylene glycol | Formula: | C30 H62 O15 | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC | InChi: | InChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3 | Synonyms: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol | Definition date: | 2017-04-14 | Last modified: | 2021-03-13 | Release date: | 2017-10-25 | Identifier: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol |
|
![D92 D92](https://data.pdbj.org/pdbjplus/data/cc/svg/D92.svg) | D92 | Name: | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | Formula: | C23 H26 Cl N5 O2 S | SMILES: | Clc1cc2cc(nc2cc1)C(=O)NC5CCCCC5NC(=O)c3nc4c(s3)CN(CC4)C | InChi: | InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17+/m0/s1 | Synonyms: | (-)-CIS-N1-[(5-CHLOROINDOL-2-YL)CARBONYL]-N2-[(5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]-1,2-CYCLOHEXANEDIAMINE | Definition date: | 2007-03-16 | Last modified: | 2021-03-13 | Identifier: | N-[(1R,2S)-2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide |
|
![D93 D93](https://data.pdbj.org/pdbjplus/data/cc/svg/D93.svg) | D93 | Name: | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | Formula: | C23 H26 Cl N5 O2 S | SMILES: | Clc1cc2cc(nc2cc1)C(=O)NC5CCCCC5NC(=O)c3nc4c(s3)CN(CC4)C | InChi: | InChI=1S/C23H26ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31)/t16-,17-/m1/s1 | Synonyms: | TRANS-N1-[(5-CHLOROINDOL-2-YL)CARBONYL]-N2-[(5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]-1,2-CYCLOHEXANEDIAMINE | Definition date: | 2007-03-16 | Last modified: | 2021-03-13 | Identifier: | N-[(1R,2R)-2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide |
|
![DA8 DA8](https://data.pdbj.org/pdbjplus/data/cc/svg/DA8.svg) | DA8 | Name: | octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside | Formula: | C20 H38 O9 | SMILES: | O(CCCCCCCC)C2OC(C(O)CC2OC1OC(C)C(O)C(O)C1O)CO | InChi: | InChI=1S/C20H38O9/c1-3-4-5-6-7-8-9-26-19-14(10-13(22)15(11-21)29-19)28-20-18(25)17(24)16(23)12(2)27-20/h12-25H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18-,19+,20-/m0/s1 | Synonyms: | Alpha-L-Fucp-(1,2)-Beta-D-3-deoxy-Galp-O(CH2)7CH3 | Definition date: | 2008-01-07 | Last modified: | 2021-03-13 | Identifier: | octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside |
|
![DAY DAY](https://data.pdbj.org/pdbjplus/data/cc/svg/DAY.svg) | DAY | Name: | 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone | Formula: | C30 H36 N2 O4 | SMILES: | O=C(CO)C4(O)C(C)CC5C6C=C(C3=Cc1c(cnn1c2ccccc2)CC3(C6C(O)CC45C)C)C | InChi: | InChI=1S/C30H36N2O4/c1-17-10-21-23-11-18(2)30(36,26(35)16-33)29(23,4)14-25(34)27(21)28(3)13-19-15-31-32(24(19)12-22(17)28)20-8-6-5-7-9-20/h5-10,12,15,18,21,23,25,27,33-34,36H,11,13-14,16H2,1-4H3/t18-,21+,23+,25+,27-,28+,29+,30+/m1/s1 | Synonyms: | Deacylcortivazol | Definition date: | 2008-01-02 | Last modified: | 2021-03-13 | Identifier: | 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone |
|
![DBS DBS](https://data.pdbj.org/pdbjplus/data/cc/svg/DBS.svg) | DBS | Name: | 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID | Formula: | C10 H11 N O6 | SMILES: | O=C(O)C(NC(=O)c1cccc(O)c1O)CO | InChi: | InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1 | Synonyms: | 2,3,-DIHYDROXYBENZOYLSERINE | Definition date: | 2002-03-20 | Last modified: | 2021-03-13 | Identifier: | N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine |
|
![DCB DCB](https://data.pdbj.org/pdbjplus/data/cc/svg/DCB.svg) | DCB | Name: | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE | Formula: | C18 H23 F N2 O14 | SMILES: | [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(C(O)C(O)C1O)CO)C(O)C2F)CO)c([N+]([O-])=O)c3 | InChi: | InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1 | Synonyms: | 2',4'-DINITROPHENYL-2DEOXY-2-FLURO-B-D-CELLOBIOSIDE | Definition date: | 1999-07-08 | Last modified: | 2021-03-13 | Identifier: | 2,4-dinitrophenyl 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
|
![DDN DDN](https://data.pdbj.org/pdbjplus/data/cc/svg/DDN.svg) | DDN | Name: | 3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | Formula: | C9 H15 N2 O8 P | SMILES: | O=C1NC(O)C=CN1C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1 | Synonyms: | ((2R,3S,5R)-3-HYDROXY-5-(4-HYDROXY-2-OXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE | Definition date: | 2004-12-14 | Last modified: | 2021-03-13 | Identifier: | (4R)-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one |
|
![PB5 PB5](https://data.pdbj.org/pdbjplus/data/cc/svg/PB5.svg) | PB5 | Name: | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE | Formula: | C18 H16 N6 O2 | SMILES: | O=C(c2ncnc(C(=O)NCc1cccnc1)c2)NCc3cccnc3 | InChi: | InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26) | Synonyms: | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE] | Definition date: | 2004-10-28 | Last modified: | 2021-03-13 | Identifier: | N,N'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide |
|
![DH2 DH2](https://data.pdbj.org/pdbjplus/data/cc/svg/DH2.svg) | DH2 | Name: | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE | Formula: | C15 H12 O7 | SMILES: | O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O | InChi: | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1 | Synonyms: | (2S,3S)-TRANS-DIHYDROQUERCETIN | Definition date: | 2001-10-30 | Last modified: | 2021-03-13 | Identifier: | (2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one |
|
![DXF DXF](https://data.pdbj.org/pdbjplus/data/cc/svg/DXF.svg) | DXF | Name: | (2R)-5-[(carbamoyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C16 H18 N4 O8 S | SMILES: | O=CC(NC(=O)C(=NOC)/c1occc1)C2SCC(=C(N2)C(=O)O)COC(=O)N | InChi: | InChI=1S/C16H18N4O8S/c1-26-20-12(10-3-2-4-27-10)13(22)18-9(5-21)14-19-11(15(23)24)8(7-29-14)6-28-16(17)25/h2-5,9,14,19H,6-7H2,1H3,(H2,17,25)(H,18,22)(H,23,24)/b20-12-/t9-,14-/m1/s1 | Synonyms: | Cefuroxime, bound form | Definition date: | 2010-06-11 | Last modified: | 2021-03-13 | Identifier: | (2R)-5-[(carbamoyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
![T3F T3F](https://data.pdbj.org/pdbjplus/data/cc/svg/T3F.svg) | T3F | Name: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate | Formula: | C16 H27 N3 O14 P2 | SMILES: | O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O | InChi: | InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1 | Synonyms: | thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminogalactose | Definition date: | 2009-02-02 | Last modified: | 2021-03-13 | Identifier: | (2R,3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
![T3Q T3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/T3Q.svg) | T3Q | Name: | [(3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate | Formula: | C16 H27 N3 O14 P2 | SMILES: | O=P(OC1OC(C(O)C(N)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O | InChi: | InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12-,13-,15-/m1/s1 | Synonyms: | thymidine-5'-diphosphate-alpha-D-3,6-dideoxy-3-aminoglucose | Definition date: | 2009-02-02 | Last modified: | 2021-03-13 | Identifier: | (2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
![DZM DZM](https://data.pdbj.org/pdbjplus/data/cc/svg/DZM.svg) | DZM | Name: | 3-deaza-3-methyladenine | Formula: | C12 H17 N4 O6 P | SMILES: | O=P(O)(O)OCC3OC(n1cnc2c1c(cnc2N)C)CC3O | InChi: | InChI=1S/C12H17N4O6P/c1-6-3-14-12(13)10-11(6)16(5-15-10)9-2-7(17)8(22-9)4-21-23(18,19)20/h3,5,7-9,17H,2,4H2,1H3,(H2,13,14)(H2,18,19,20)/t7-,8+,9+/m0/s1 | Synonyms: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7-methyl-1H-imidazo[4,5-c]pyridin-4-amine | Definition date: | 2009-09-24 | Last modified: | 2021-03-13 | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7-methyl-1H-imidazo[4,5-c]pyridin-4-amine |
|
![E0F E0F](https://data.pdbj.org/pdbjplus/data/cc/svg/E0F.svg) | E0F | Name: | ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide | Formula: | C24 H27 N3 O2 | SMILES: | CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4 | InChi: | InChI=1S/C24H27N3O2/c1-27(19-11-3-2-4-12-19)16-18-10-6-8-14-22(18)26-24(29)20-15-17-9-5-7-13-21(17)25-23(20)28/h5-10,13-15,19H,2-4,11-12,16H2,1H3,(H,25,28)(H,26,29) | Synonyms: | N-(2-{[cyclohexyl(methyl)amino]methyl}phenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide | Definition date: | 2019-09-27 | Last modified: | 2021-03-13 | Release date: | 2020-05-06 | Identifier: | ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide |
|
![E0L E0L](https://data.pdbj.org/pdbjplus/data/cc/svg/E0L.svg) | E0L | Name: | 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid | Formula: | C18 H15 N3 O4 | SMILES: | CNc1cccc2C=C(C(=O)Nc3cccc(c3)C(O)=O)C(=O)Nc12 | InChi: | InChI=1S/C18H15N3O4/c1-19-14-7-3-4-10-9-13(17(23)21-15(10)14)16(22)20-12-6-2-5-11(8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25) | Synonyms: | 3-{[8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyl]amino}benzoic acid | Definition date: | 2019-09-27 | Last modified: | 2021-03-13 | Release date: | 2020-05-06 | Identifier: | 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid |
|
![E0R E0R](https://data.pdbj.org/pdbjplus/data/cc/svg/E0R.svg) | E0R | Name: | 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid | Formula: | C18 H15 N3 O4 | SMILES: | CNc1cccc2C=C(C(=O)Nc3ccc(cc3)C(O)=O)C(=O)Nc12 | InChi: | InChI=1S/C18H15N3O4/c1-19-14-4-2-3-11-9-13(17(23)21-15(11)14)16(22)20-12-7-5-10(6-8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25) | Synonyms: | 4-{[8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyl]amino}benzoic acid | Definition date: | 2019-09-30 | Last modified: | 2021-03-13 | Release date: | 2020-05-06 | Identifier: | 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid |
|
![E0U E0U](https://data.pdbj.org/pdbjplus/data/cc/svg/E0U.svg) | E0U | Name: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid | Formula: | C19 H17 N3 O4 | SMILES: | CNc1cccc2C=C(C(=O)Nc3cccc(CC(O)=O)c3)C(=O)Nc12 | InChi: | InChI=1S/C19H17N3O4/c1-20-15-7-3-5-12-10-14(19(26)22-17(12)15)18(25)21-13-6-2-4-11(8-13)9-16(23)24/h2-8,10,20H,9H2,1H3,(H,21,25)(H,22,26)(H,23,24) | Synonyms: | (3-{[8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyl]amino}phenyl)acetic acid | Definition date: | 2019-09-30 | Last modified: | 2021-03-13 | Release date: | 2020-05-06 | Identifier: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid |
|
![T8B T8B](https://data.pdbj.org/pdbjplus/data/cc/svg/T8B.svg) | T8B | Name: | Thermorubin | Formula: | C32 H24 O12 | SMILES: | O=C(OC)C=5OC(=O)c4c(O)c3c(OC)c2c(OC)c(C(=O)C=C(/O)c1ccccc1O)c(cc2cc3cc4C=5)CC(=O)O | InChi: | InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13- | Synonyms: | {12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid | Definition date: | 2011-12-09 | Last modified: | 2021-03-13 | Identifier: | {12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid |
|
![E3D E3D](https://data.pdbj.org/pdbjplus/data/cc/svg/E3D.svg) | E3D | Name: | dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium | Formula: | C9 H10 Cl2 N2 Ru | SMILES: | c1([Ru](Cl)Cl)n(C)c2c([n+]1C)cccc2 | InChi: | InChI=1S/C9H10N2.2ClH.Ru/c1-10-7-11(2)9-6-4-3-5-8(9)10 | Synonyms: | dichlorido(1,3-dimethylbenzimidazol-2-ylidene)ruthenium(II) | Definition date: | 2017-11-29 | Last modified: | 2021-03-13 | Release date: | 2018-05-16 | Identifier: | dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium |
|