![57V 57V](https://data.pdbj.org/pdbjplus/data/cc/svg/57V.svg) | 57V | Name: | 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea | Formula: | C17 H17 N5 O S | SMILES: | O=C(NCC)Nc2sc(c(C=Cc1cccnc1)n2)c3nccc3 | InChi: | InChI=1S/C17H17N5OS/c1-2-19-16(23)22-17-21-14(8-7-12-5-3-9-18-11-12)15(24-17)13-6-4-10-20-13/h3-11,20H,2H2,1H3,(H2,19,21,22,23)/b8-7+ | Definition date: | 2015-08-13 | Last modified: | 2015-11-20 | Release date: | 2015-11-25 | Identifier: | 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea |
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![4D1 4D1](https://data.pdbj.org/pdbjplus/data/cc/svg/4D1.svg) | 4D1 | Name: | N-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-D-glucopyranosylamine | Formula: | C19 H26 N2 O7 | SMILES: | c2c(C=CC(=O)NC(NC1OC(CO)C(O)C(C1O)O)=O)ccc(C(C)C)c2 | InChi: | InChI=1S/C19H26N2O7/c1-10(2)12-6-3-11(4-7-12)5-8-14(23)20-19(27)21-18-17(26)16(25)15(24)13(9-22)28-18/h3-8,10,13,15-18,22,24-26H,9H2,1-2H3,(H2,20,21,23,27)/b8-5+/t13-,15-,16+,17-,18-/m1/s1 | Definition date: | 2015-03-02 | Last modified: | 2015-11-13 | Release date: | 2015-11-18 | Identifier: | N-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-D-glucopyranosylamine |
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![HGR HGR](https://data.pdbj.org/pdbjplus/data/cc/svg/HGR.svg) | HGR | Name: | Hygromycin A | Formula: | C23 H29 N O12 | SMILES: | C=1C(=O)C(=CCC=1[C@H]=C(C(NC3C(O)C(C2C(OCO2)C3O)O)=O)C)OC4OC(C(O)C4O)C(C)=O | InChi: | InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h4-6,13-21,23,27-31H,3,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14+,15-,16-,17+,18+,19-,20+,21-,23-/m1/s1 | Definition date: | 2015-09-08 | Last modified: | 2015-11-06 | Release date: | 2015-11-11 | Identifier: | (2E)-3-{4-[(6-deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-oxocyclohexa-1,4-dien-1-yl}-2-methyl-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]prop-2-enamide |
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![5BY 5BY](https://data.pdbj.org/pdbjplus/data/cc/svg/5BY.svg) | 5BY | Name: | {2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid | Formula: | C28 H42 B N5 O9 | SMILES: | C(=O)(NC(Cc1ccccc1)C(NC(CC(C)C)B(O)O)=O)C[C@H]=[C@H]c2cn(CCOCCOCCOCC(O)=O)nn2 | InChi: | InChI=1S/C28H42BN5O9/c1-21(2)17-25(29(39)40)31-28(38)24(18-22-7-4-3-5-8-22)30-26(35)10-6-9-23-19-34(33-32-23)11-12-41-13-14-42-15-16-43-20-27(36)37/h3-9,19,21,24-25,39-40H,10-18,20H2,1-2H3,(H,30,35)(H,31,38)(H,36,37)/b9-6+/t24-,25-/m0/s1 | Definition date: | 2015-09-04 | Last modified: | 2015-10-23 | Release date: | 2015-10-28 | Identifier: | {2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid |
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![R3S R3S](https://data.pdbj.org/pdbjplus/data/cc/svg/R3S.svg) | R3S | Name: | RESVERATROL-3-O-SULFATE | Formula: | C14 H12 O6 S | SMILES: | Oc1ccc(cc1)C=Cc2cc(O)cc(O[S](O)(=O)=O)c2 | InChi: | InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+ | Definition date: | 2015-03-06 | Last modified: | 2015-10-16 | Release date: | 2015-10-21 | Identifier: | [3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenyl] hydrogen sulfate |
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![R3X R3X](https://data.pdbj.org/pdbjplus/data/cc/svg/R3X.svg) | R3X | Name: | Resveratrol-3-O-glucuronide | Formula: | C20 H20 O9 | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2 | InChi: | InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1 | Definition date: | 2015-03-05 | Last modified: | 2015-10-16 | Release date: | 2015-10-21 | Identifier: | (2S,3S,4S,5R,6S)-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
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![R4G R4G](https://data.pdbj.org/pdbjplus/data/cc/svg/R4G.svg) | R4G | Name: | Resveratrol-4'-O-glucuronide | Formula: | C20 H20 O9 | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc(cc2)C=Cc3cc(O)cc(O)c3 | InChi: | InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1 | Definition date: | 2015-03-05 | Last modified: | 2015-10-16 | Release date: | 2015-10-21 | Identifier: | (2S,3S,4S,5R,6S)-6-[4-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
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![5BW 5BW](https://data.pdbj.org/pdbjplus/data/cc/svg/5BW.svg) | 5BW | Name: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one | Formula: | C19 H19 N3 O2 | SMILES: | c1cccnc1N2CC3CC2CN3[C@H]=CC(=O)c4c(cccc4)O | InChi: | InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1 | Definition date: | 2015-09-03 | Last modified: | 2015-10-09 | Release date: | 2015-10-14 | Identifier: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one |
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![FYC FYC](https://data.pdbj.org/pdbjplus/data/cc/svg/FYC.svg) | FYC | Name: | 3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide | Formula: | C18 H16 F N3 O2 | SMILES: | CC(=Cc1ccccc1F)C(=O)NCc2ccc3NC(=O)Nc3c2 | InChi: | InChI=1S/C18H16FN3O2/c1-11(8-13-4-2-3-5-14(13)19)17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-9H,10H2,1H3,(H,20,23)(H2,21,22,24)/b11-8+ | Definition date: | 2015-08-25 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | (E)-3-(2-fluorophenyl)-2-methyl-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]prop-2-enamide |
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![2O2 2O2](https://data.pdbj.org/pdbjplus/data/cc/svg/2O2.svg) | 2O2 | Name: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione | Formula: | C18 H20 N2 O11 P2 | SMILES: | O=P(O)(O)/C=C/C1=CN(C(=O)NC1=O)C4OC2C(OC(OC2)(c3ccccc3)P(=O)(O)O)C4 | InChi: | InChI=1S/C18H20N2O11P2/c21-16-11(6-7-32(23,24)25)9-20(17(22)19-16)15-8-13-14(30-15)10-29-18(31-13,33(26,27)28)12-4-2-1-3-5-12/h1-7,9,13-15H,8,10H2,(H,19,21,22)(H2,23,24,25)(H2,26,27,28)/b7-6+/t13-,14-,15-,18-/m1/s1 | Definition date: | 2013-12-12 | Last modified: | 2015-09-04 | Release date: | 2015-09-09 | Identifier: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione |
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![57T 57T](https://data.pdbj.org/pdbjplus/data/cc/svg/57T.svg) | 57T | Name: | (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid] | Formula: | C18 H12 I2 O4 S2 | SMILES: | c1c(ccc(c1)I)[C@H]=C(C(O)=O)SSC(C(O)=O)=[C@H]c2ccc(cc2)I | InChi: | InChI=1S/C18H12I2O4S2/c19-13-5-1-11(2-6-13)9-15(17(21)22)25-26-16(18(23)24)10-12-3-7-14(20)8-4-12/h1-10H,(H,21,22)(H,23,24)/b15-9-,16-10+ | Definition date: | 2015-08-12 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid] |
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![GUO GUO](https://data.pdbj.org/pdbjplus/data/cc/svg/GUO.svg) | GUO | Name: | [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C15 H25 N5 O15 P2 | SMILES: | NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1N=CN[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | Definition date: | 2015-02-05 | Last modified: | 2015-08-28 | Release date: | 2015-09-02 | Identifier: | [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![38D 38D](https://data.pdbj.org/pdbjplus/data/cc/svg/38D.svg) | 38D | Name: | N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide | Formula: | C14 H10 Cl2 N2 O3 | SMILES: | Clc2cc(Cl)ccc2/C=N/NC(=O)c1ccc(O)c(O)c1 | InChi: | InChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+ | Definition date: | 2014-07-03 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide |
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![K9P K9P](https://data.pdbj.org/pdbjplus/data/cc/svg/K9P.svg) | K9P | Name: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one | Formula: | C19 H23 N O2 | SMILES: | CCCCCC(=O)N1C[CH](C)c2c1cc(O)c3ccccc23 | InChi: | InChI=1S/C19H23NO2/c1-3-4-5-10-18(22)20-12-13(2)19-15-9-7-6-8-14(15)17(21)11-16(19)20/h6-9,11,13,21H,3-5,10,12H2,1-2H3/t13-/m1/s1 | Definition date: | 2015-08-11 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one |
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![WCA WCA](https://data.pdbj.org/pdbjplus/data/cc/svg/WCA.svg) | WCA | Name: | p-coumaroyl-CoA | Formula: | C30 H42 N7 O18 P3 S | SMILES: | c12n(cnc1c(ncn2)N)C4OC(COP(OP(OCC(C(C(NCCC(NCCSC(C=Cc3ccc(cc3)O)=O)=O)=O)O)(C)C)(O)=O)(=O)O)C(OP(O)(O)=O)C4O | InChi: | InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+/t19-,23-,24-,25+,29-/m1/s1 | Definition date: | 2015-07-31 | Last modified: | 2015-08-07 | Release date: | 2015-08-12 | Identifier: | S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)prop-2-enethioate (non-preferred name) |
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![3RL 3RL](https://data.pdbj.org/pdbjplus/data/cc/svg/3RL.svg) | 3RL | Name: | Pterostilbene | Formula: | C16 H16 O3 | SMILES: | O(c1cc(cc(OC)c1)C=Cc2ccc(O)cc2)C | InChi: | InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ | Definition date: | 2014-10-15 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol |
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![4WA 4WA](https://data.pdbj.org/pdbjplus/data/cc/svg/4WA.svg) | 4WA | Name: | 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide | Formula: | C12 H12 N4 O2 S | SMILES: | O=S(=O)(N)c1ccc(cc1)N=Nc2ccc(N)cc2 | InChi: | InChI=1S/C12H12N4O2S/c13-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+ | Definition date: | 2015-06-11 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide |
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![4PV 4PV](https://data.pdbj.org/pdbjplus/data/cc/svg/4PV.svg) | 4PV | Name: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | Formula: | C18 H18 F2 N4 | SMILES: | C1CN(CCN1C)C=4c2c(ccc(F)c2)Nc3ccc(F)cc3N=4 | InChi: | InChI=1S/C18H18F2N4/c1-23-6-8-24(9-7-23)18-14-10-12(19)2-4-15(14)21-16-5-3-13(20)11-17(16)22-18/h2-5,10-11,21H,6-9H2,1H3 | Definition date: | 2015-05-04 | Last modified: | 2015-07-31 | Release date: | 2015-08-05 | Identifier: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine |
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![Y52 Y52](https://data.pdbj.org/pdbjplus/data/cc/svg/Y52.svg) | Y52 | Name: | methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate | Formula: | C20 H19 N O4 S2 | SMILES: | O=C(OC)C(=COC)c1ccccc1CSc2nc3cc(OC)ccc3s2 | InChi: | InChI=1S/C20H19NO4S2/c1-23-11-16(19(22)25-3)15-7-5-4-6-13(15)12-26-20-21-17-10-14(24-2)8-9-18(17)27-20/h4-11H,12H2,1-3H3/b16-11+ | Definition date: | 2014-07-21 | Last modified: | 2015-07-24 | Release date: | 2015-07-29 | Identifier: | methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate |
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![4RA 4RA](https://data.pdbj.org/pdbjplus/data/cc/svg/4RA.svg) | 4RA | Name: | [(2R,3R,4R,5S,6R)-3-acetamido-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Formula: | C25 H36 N5 O20 P3 | SMILES: | O=C1N(C=CC(N1)=O)C2OC(C(C2O)O)COP(O)(=O)OP(O)(=O)OC3C(NC(C)=O)C(O)C(C(O3)C)N=Cc4c(O)c(C)ncc4COP(O)(O)=O | InChi: | InChI=1S/C25H36N5O20P3/c1-10-19(33)14(13(6-26-10)8-45-51(38,39)40)7-27-17-11(2)47-24(18(21(17)35)28-12(3)31)49-53(43,44)50-52(41,42)46-9-15-20(34)22(36)23(48-15)30-5-4-16(32)29-25(30)37/h4-7,11,15,17-18,20-24,33-36H,8-9H2,1-3H3,(H,28,31)(H,41,42)(H,43,44)(H,29,32,37)(H2,38,39,40)/b27-7+/t11-,15-,17-,18-,20-,21+,22-,23-,24-/m1/s1 | Definition date: | 2015-05-14 | Last modified: | 2015-07-24 | Release date: | 2015-07-29 | Identifier: | (2R,3R,4R,5S,6R)-3-(acetylamino)-4-hydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![PUS PUS](https://data.pdbj.org/pdbjplus/data/cc/svg/PUS.svg) | PUS | Name: | (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine | Formula: | C12 H17 N4 O9 P | SMILES: | N(/C(CONC(N)=O)C(O)=O)=Cc1c(c(ncc1COP(O)(=O)O)C)O | InChi: | InChI=1S/C12H17N4O9P/c1-6-10(17)8(7(2-14-6)4-25-26(21,22)23)3-15-9(11(18)19)5-24-16-12(13)20/h2-3,9,17H,4-5H2,1H3,(H,18,19)(H3,13,16,20)(H2,21,22,23)/b15-3+/t9-/m0/s1 | Definition date: | 2015-03-18 | Last modified: | 2015-07-24 | Release date: | 2015-07-29 | Identifier: | (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine |
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![DH6 DH6](https://data.pdbj.org/pdbjplus/data/cc/svg/DH6.svg) | DH6 | Name: | CINNAMIDE | Formula: | C9 H9 N O | SMILES: | NC(=O)C=Cc1ccccc1 | InChi: | InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+ | Definition date: | 2015-06-03 | Last modified: | 2015-07-17 | Release date: | 2015-07-22 | Identifier: | (E)-3-phenylprop-2-enamide |
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![34L 34L](https://data.pdbj.org/pdbjplus/data/cc/svg/34L.svg) | 34L | Name: | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one | Formula: | C13 H8 N4 O S | SMILES: | O=C1Nc4c(C/1=Cc2cncn2)c3scnc3cc4 | InChi: | InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3- | Definition date: | 2014-06-17 | Last modified: | 2015-06-26 | Release date: | 2015-07-01 | Identifier: | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one |
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![4OQ 4OQ](https://data.pdbj.org/pdbjplus/data/cc/svg/4OQ.svg) | 4OQ | Name: | 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine | Formula: | C20 H22 Cl F N4 | SMILES: | C(C)N3c1ccc(cc1N=C(c2c3ccc(Cl)c2)N4CCN(C)CC4)F | InChi: | InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3 | Definition date: | 2015-04-29 | Last modified: | 2015-06-19 | Release date: | 2015-06-24 | Identifier: | 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine |
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![4OR 4OR](https://data.pdbj.org/pdbjplus/data/cc/svg/4OR.svg) | 4OR | Name: | (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide | Formula: | C24 H29 Cl F N5 O | SMILES: | C(C)N3c1ccc(cc1N=C(c2c3ccc(c2)Cl)NC4CN(CC4)C(=O)NC(C)(C)C)F | InChi: | InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1 | Definition date: | 2015-04-29 | Last modified: | 2015-06-19 | Release date: | 2015-06-24 | Identifier: | (3S)-N-tert-butyl-3-[(2-chloro-5-ethyl-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl)amino]pyrrolidine-1-carboxamide |
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