![OV1 OV1](https://data.pdbj.org/pdbjplus/data/cc/svg/OV1.svg) | OV1 | Name: | N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide | Formula: | C25 H49 N3 O6 S | SMILES: | O=C(NC(C(=O)NC(CC(C)C)C(O)C(C)CO)CCS(=O)C)C(NC(=O)CCCCC)C(C)C | InChi: | InChI=1S/C25H49N3O6S/c1-8-9-10-11-21(30)28-22(17(4)5)25(33)26-19(12-13-35(7)34)24(32)27-20(14-16(2)3)23(31)18(6)15-29/h16-20,22-23,29,31H,8-15H2,1-7H3,(H,26,33)(H,27,32)(H,28,30)/t18-,19+,20+,22+,23+,35-/m1/s1 | Synonyms: | Carmaphycin A, bound form | Definition date: | 2012-12-10 | Last modified: | 2021-03-13 | Release date: | 2014-01-29 | Identifier: | N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide |
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![OV2 OV2](https://data.pdbj.org/pdbjplus/data/cc/svg/OV2.svg) | OV2 | Name: | N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide | Formula: | C27 H52 N4 O6 | SMILES: | O=C(NC(C(O)C(CO)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C | InChi: | InChI=1S/C27H52N4O6/c1-9-10-11-12-22(33)30-24(18(4)5)27(37)28-20(13-14-23(34)31(7)8)26(36)29-21(15-17(2)3)25(35)19(6)16-32/h17-21,24-25,32,35H,9-16H2,1-8H3,(H,28,37)(H,29,36)(H,30,33)/t19-,20+,21+,24+,25+/m1/s1 | Synonyms: | Carmaphycin A analogue, bound from | Definition date: | 2012-12-10 | Last modified: | 2021-03-13 | Release date: | 2014-01-29 | Identifier: | N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide |
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![OYE OYE](https://data.pdbj.org/pdbjplus/data/cc/svg/OYE.svg) | OYE | Name: | bn7GpppG mRNA 5' cap analog | Formula: | C27 H31 N10 O18 P3 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccccc6)c7C(=O)N=C(N)Nc57)[CH](O)[CH]3O | InChi: | InChI=1S/C27H33N10O18P3/c28-26-31-20-14(22(42)33-26)30-9-36(20)24-18(40)16(38)12(52-24)7-50-56(44,45)54-58(48,49)55-57(46,47)51-8-13-17(39)19(41)25(53-13)37-10-35(6-11-4-2-1-3-5-11)15-21(37)32-27(29)34-23(15)43/h1-5,9-10,12-13,16-19,24-25,38-41H,6-8H2,(H8-,28,29,31,32,33,34,42,43,44,45,46,47,48,49)/p-2/t12-,13-,16-,17-,18-,19-,24-,25-/m1/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Definition date: | 2020-04-07 | Last modified: | 2021-03-13 | Release date: | 2020-04-15 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate |
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![OYW OYW](https://data.pdbj.org/pdbjplus/data/cc/svg/OYW.svg) | OYW | Name: | 4-Cl-Bn7GpppG mRNA 5' cap analog | Formula: | C27 H33 Cl N10 O18 P3 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=Nc57)N)C(O)C3O | InChi: | InChI=1S/C27H32ClN10O18P3/c28-11-3-1-10(2-4-11)5-36-9-38(21-15(36)23(44)35-27(30)33-21)25-19(42)17(40)13(54-25)7-52-58(47,48)56-59(49,50)55-57(45,46)51-6-12-16(39)18(41)24(53-12)37-8-31-14-20(37)32-26(29)34-22(14)43/h1-4,8-9,12-13,16-19,24-25,39-42H,5-7H2,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t12?,13-,16?,17-,18?,19-,24?,25-/m1/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Definition date: | 2020-04-08 | Last modified: | 2021-03-13 | Release date: | 2020-06-10 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate |
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![6BQ 6BQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6BQ.svg) | 6BQ | Name: | Phosphorylated josamycin | Formula: | C42 H74 N O18 P | SMILES: | C1(O)C(CC(C(C(C(CC(OC(CCC=CC1)C)=O)OC(=O)C)OC)OC2C(OP(=O)(O)O)C(N(C)C)C(C(O2)C)OC3CC(O)(C(C(O3)C)OC(CC(C)C)=O)C)CCO)C | InChi: | InChI=1S/C42H74NO18P/c1-23(2)19-32(47)58-40-27(6)55-34(22-42(40,8)49)59-36-26(5)56-41(39(35(36)43(9)10)61-62(50,51)52)60-37-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)54-33(48)21-31(38(37)53-11)57-28(7)45/h12,14,23-27,29-31,34-41,44,46,49H,13,15-22H2,1-11H3,(H2,50,51,52)/b14-12+/t24-,25-,26-,27+,29+,30+,31-,34+,35+,36-,37+,38+,39-,40+,41+,42-/m1/s1 | Synonyms: | (2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,16R)-4-(acetyloxy)-10-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadec-12-en-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate | Definition date: | 2016-03-02 | Last modified: | 2021-03-13 | Release date: | 2017-04-26 | Identifier: | (2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,16R)-4-(acetyloxy)-10-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadec-12-en-6-yl]oxy}-4-(dimethylamino)-2-methyl-5-(phosphonooxy)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name) |
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![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 |
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![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 |
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![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 |
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![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 |
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![6D8 6D8](https://data.pdbj.org/pdbjplus/data/cc/svg/6D8.svg) | 6D8 | Name: | VT-464 | Formula: | C18 H17 F4 N3 O3 | SMILES: | c2c(c(cc3cc(C(c1cnnn1)(C(C)C)O)ccc23)OC(F)F)OC(F)F | InChi: | InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1 | Synonyms: | (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-1,2,3-triazol-4-yl)propan-1-ol | Definition date: | 2016-03-16 | Last modified: | 2021-03-13 | Release date: | 2017-03-15 | Identifier: | (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-ol |
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![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 |
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![LFN LFN](https://data.pdbj.org/pdbjplus/data/cc/svg/LFN.svg) | LFN | Name: | LUMIFLAVIN | Formula: | C13 H12 N4 O2 | SMILES: | O=C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C | InChi: | InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19) | Synonyms: | 7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE | Definition date: | 2006-01-13 | Last modified: | 2021-03-13 | Identifier: | 7,8,10-trimethylbenzo[g]pteridine-2,4(3H,10H)-dione |
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![79M 79M](https://data.pdbj.org/pdbjplus/data/cc/svg/79M.svg) | 79M | Name: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate | Formula: | C19 H36 O4 | SMILES: | O=C(OCC(O)CO)CCCCCC=C/CCCCCCCC | InChi: | InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m1/s1 | Synonyms: | [(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate | Definition date: | 2013-06-05 | Last modified: | 2021-03-13 | Release date: | 2014-06-18 | Identifier: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate |
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![LGD LGD](https://data.pdbj.org/pdbjplus/data/cc/svg/LGD.svg) | LGD | Name: | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE | Formula: | C14 H9 F9 N2 O | SMILES: | FC(F)(F)CN(c2ccc1c(C(=CC(=O)N1)C(F)(F)F)c2)CC(F)(F)F | InChi: | InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26) | Synonyms: | 1,2-DIHYDRO-6-N,N-BIS(2,2,2-TRIFLUOROETHYL)AMINO-4-TRIFLUOROMETHYL-2-QUINOLINONE | Definition date: | 2006-08-01 | Last modified: | 2021-03-13 | Identifier: | 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1H)-one |
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![LGF LGF](https://data.pdbj.org/pdbjplus/data/cc/svg/LGF.svg) | LGF | Name: | 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione | Formula: | C27 H24 F2 N6 O5 | SMILES: | COc1nc2[nH]cc(C(=O)C(=O)N3CC[CH](O)C3)c2cc1C(=O)N4CCn5c(C4)cnc5c6ccc(F)cc6F | InChi: | InChI=1S/C27H24F2N6O5/c1-40-25-19(9-18-20(11-30-23(18)32-25)22(37)27(39)33-5-4-16(36)13-33)26(38)34-6-7-35-15(12-34)10-31-24(35)17-3-2-14(28)8-21(17)29/h2-3,8-11,16,36H,4-7,12-13H2,1H3,(H,30,32)/t16-/m1/s1 | Synonyms: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | Definition date: | 2007-06-25 | Last modified: | 2021-03-13 | Identifier: | 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione |
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![7A8 7A8](https://data.pdbj.org/pdbjplus/data/cc/svg/7A8.svg) | 7A8 | Name: | (1R)-DIMETHYL-(4-METHYL-CYCLOHEX-3-ENYL)-AMINE | Formula: | C9 H17 N | SMILES: | N(C)(C)C1CC=C(C)CC1 | InChi: | InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1 | Synonyms: | (4R)-7AZA-7,8-DIHYDROLIMONENE | Definition date: | 2002-11-08 | Last modified: | 2021-03-13 | Identifier: | (1R)-N,N,4-trimethylcyclohex-3-en-1-amine |
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![LIB LIB](https://data.pdbj.org/pdbjplus/data/cc/svg/LIB.svg) | LIB | Name: | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA | Formula: | C23 H26 Cl N5 O3 | SMILES: | Clc1ccccc1NC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)c3ccc(OC)cc3 | InChi: | InChI=1S/C23H26ClN5O3/c1-15(23(2,3)31)26-21-25-14-13-20(28-21)29(16-9-11-17(32-4)12-10-16)22(30)27-19-8-6-5-7-18(19)24/h5-15,31H,1-4H3,(H,27,30)(H,25,26,28)/t15-/m0/s1 | Synonyms: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE | Definition date: | 2006-03-28 | Last modified: | 2021-03-13 | Identifier: | 3-(2-chlorophenyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea |
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![LID LID](https://data.pdbj.org/pdbjplus/data/cc/svg/LID.svg) | LID | Name: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM | Formula: | C19 H15 Cl F2 N6 | SMILES: | Fc1cccc(F)c1Nc2ncc3nc(n(c3n2)CC)Nc4ccccc4Cl | InChi: | InChI=1S/C19H15ClF2N6/c1-2-28-17-15(25-19(28)24-14-9-4-3-6-11(14)20)10-23-18(27-17)26-16-12(21)7-5-8-13(16)22/h3-10H,2H2,1H3,(H,24,25)(H,23,26,27) | Synonyms: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE | Definition date: | 2006-05-01 | Last modified: | 2021-03-13 | Identifier: | N~8~-(2-chlorophenyl)-N~2~-(2,6-difluorophenyl)-9-ethyl-9H-purine-2,8-diamine |
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![7BU 7BU](https://data.pdbj.org/pdbjplus/data/cc/svg/7BU.svg) | 7BU | Name: | [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc | Formula: | C24 H8 F12 N4 Zn | SMILES: | N51C6=C(C8=N2C(=C(C(F)(F)F)c4ccc3C(C(F)(F)F)=C7N([Zn]12n34)=C(C(=C5C=C6)C(F)(F)F)C=C7)C=C8)C(F)(F)F | InChi: | InChI=1S/C24H8F12N4.Zn/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13 | Synonyms: | [5,10,15,20-Tetrakis(trifluoromethyl)porphinato]zinc(II) | Definition date: | 2016-09-29 | Last modified: | 2021-03-13 | Release date: | 2017-08-09 | Identifier: | [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc |
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![7C1 7C1](https://data.pdbj.org/pdbjplus/data/cc/svg/7C1.svg) | 7C1 | Name: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide | Formula: | C16 H13 N3 O2 | SMILES: | O=C2c1cccc(c1C(=O)N2c3ccc(C(=[N@H])N)cc3)C | InChi: | InChI=1S/C16H13N3O2/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18/h2-8H,1H3,(H3,17,18) | Synonyms: | 4-(4-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1-carboximidamide | Definition date: | 2009-08-06 | Last modified: | 2021-03-13 | Identifier: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide |
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![LJ2 LJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/LJ2.svg) | LJ2 | Name: | 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol | Formula: | C14 H10 Br2 O | SMILES: | Brc1cc(cc(Br)c1O)C=Cc2ccccc2 | InChi: | InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+ | Synonyms: | 3,5-Dibromo-4-hydroxystilbene | Definition date: | 2008-03-25 | Last modified: | 2021-03-13 | Identifier: | 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol |
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![7CK 7CK](https://data.pdbj.org/pdbjplus/data/cc/svg/7CK.svg) | 7CK | Name: | 7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | Formula: | C21 H13 N3 O3 | SMILES: | O=C(O)c5c4c1c6c(nc1c3c(c2ccccc2n3)c4c(O)n5)cccc6 | InChi: | InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,22-25H,(H,26,27) | Synonyms: | 7-HYDROXY-12,13-DIHYDRO-6H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5-CARBOXYLIC ACID | Definition date: | 2007-09-06 | Last modified: | 2021-03-13 | Identifier: | 7-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid |
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![7D6 7D6](https://data.pdbj.org/pdbjplus/data/cc/svg/7D6.svg) | 7D6 | Name: | (S)-orteronel | Formula: | C18 H17 N3 O2 | SMILES: | c2c1c(ccc(C(NC)=O)c1)cc(c2)C4(CCn3c4cnc3)O | InChi: | InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1 | Synonyms: | 6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide | Definition date: | 2016-03-16 | Last modified: | 2021-03-13 | Release date: | 2017-03-15 | Identifier: | 6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide |
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![7DL 7DL](https://data.pdbj.org/pdbjplus/data/cc/svg/7DL.svg) | 7DL | Name: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Formula: | C29 H30 Cl2 N8 O3 | SMILES: | C(=O)([C@H]=Cc1cc(Cl)ccc1n2nnnc2)NC4c5nc(c3ccc(NC(OC)=O)cc3CCCCCCC4)c(Cl)n5 | InChi: | InChI=1S/C29H30Cl2N8O3/c1-42-29(41)33-21-11-12-22-18(16-21)7-5-3-2-4-6-8-23(28-35-26(22)27(31)36-28)34-25(40)14-9-19-15-20(30)10-13-24(19)39-17-32-37-38-39/h9-17,23H,2-8H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1 | Synonyms: | methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate | Definition date: | 2016-10-11 | Last modified: | 2021-03-13 | Release date: | 2017-03-01 | Identifier: | methyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate |
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![7E1 7E1](https://data.pdbj.org/pdbjplus/data/cc/svg/7E1.svg) | 7E1 | Name: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid | Formula: | C30 H27 Cl O7 S | SMILES: | c1c(ccc(c1)O)C4=C(c2ccc([C@H]=CCCCC(O)=O)cc2)C5C(S(Oc3cc(Cl)ccc3)(=O)=O)CC4O5 | InChi: | InChI=1S/C30H27ClO7S/c31-22-6-4-7-24(17-22)38-39(35,36)26-18-25-28(20-13-15-23(32)16-14-20)29(30(26)37-25)21-11-9-19(10-12-21)5-2-1-3-8-27(33)34/h2,4-7,9-17,25-26,30,32H,1,3,8,18H2,(H,33,34)/t25-,26+,30+/m0/s1 | Synonyms: | (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid | Definition date: | 2016-10-13 | Last modified: | 2021-03-13 | Release date: | 2017-01-18 | Identifier: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid |
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