![H4C H4C](https://data.pdbj.org/pdbjplus/data/cc/svg/H4C.svg) | H4C | Name: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium | Formula: | C17 H16 Cl N4 S | SMILES: | Clc4ccccc4C2=NCc1nnc([n+]1c3sc(cc23)CC)C | InChi: | InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3/p+1 | Synonyms: | 7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene | Definition date: | 2013-09-17 | Last modified: | 2020-06-17 | Release date: | 2013-10-02 | Identifier: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium |
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![7RS 7RS](https://data.pdbj.org/pdbjplus/data/cc/svg/7RS.svg) | 7RS | Name: | N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide | Formula: | C20 H24 F2 N4 O | SMILES: | C3N(Cc1cc(c(C)cc1)NC(=O)CNc2ccc(c(c2)F)F)CCNC3 | InChi: | InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27) | Synonyms: | antagonist GW791343 | Definition date: | 2016-12-02 | Last modified: | 2020-06-17 | Release date: | 2017-01-04 | Identifier: | N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide |
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![7RV 7RV](https://data.pdbj.org/pdbjplus/data/cc/svg/7RV.svg) | 7RV | Name: | N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide | Formula: | C28 H32 N4 O2 S | SMILES: | C1COCCC1(CNC(=O)c2cccnc2Sc3ccccc3)N4CCN(CC4)c5ccccc5 | InChi: | InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33) | Synonyms: | antagonist JNJ47965567 | Definition date: | 2016-12-02 | Last modified: | 2020-06-17 | Release date: | 2017-01-04 | Identifier: | N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide |
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![7RY 7RY](https://data.pdbj.org/pdbjplus/data/cc/svg/7RY.svg) | 7RY | Name: | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide | Formula: | C25 H34 N4 O2 | SMILES: | C(Nc5ccc1c(cccc1NC(CC43CC2CC(CC(C2)C3)C4)=O)n5)CNCCO | InChi: | InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)/t17-,18+,19-,25- | Synonyms: | antagonist AZ10606120 | Definition date: | 2016-12-02 | Last modified: | 2020-06-17 | Release date: | 2017-01-04 | Identifier: | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide |
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![H70 H70](https://data.pdbj.org/pdbjplus/data/cc/svg/H70.svg) | H70 | Name: | 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL | Formula: | C10 H4 Br3 Cl2 N O | SMILES: | Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br | InChi: | InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H | Synonyms: | TRIBROMODICHLOROPSEUDILIN | Definition date: | 2010-08-10 | Last modified: | 2020-06-17 | Identifier: | 2,4-dichloro-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
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![H8D H8D](https://data.pdbj.org/pdbjplus/data/cc/svg/H8D.svg) | H8D | Name: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide | Formula: | C20 H25 N3 O2 | SMILES: | c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C=1)Cc4c2c3nc4 | InChi: | InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1 | Synonyms: | methylergonovine | Definition date: | 2018-06-15 | Last modified: | 2020-06-17 | Release date: | 2018-08-29 | Identifier: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide |
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![H97 H97](https://data.pdbj.org/pdbjplus/data/cc/svg/H97.svg) | H97 | Name: | (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1
0-secoestra-5,7-diene-1,3-diol | Formula: | C31 H44 F6 O4 | SMILES: | FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(=CC=C1CC(O)CC(O)C1)CCCC23C)C(F)(F)F | InChi: | InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23-,24-,25-,26+,28-/m1/s1 | Synonyms: | 1,25-dihydroxy-20R-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalcifero
l (Gemini--0097) | Definition date: | 2010-07-22 | Last modified: | 2020-06-17 | Identifier: | (1R,3R,7E,17beta)-17-[(6R)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-9,10-secoestra-5,7-diene-1,3-diol |
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![7WF 7WF](https://data.pdbj.org/pdbjplus/data/cc/svg/7WF.svg) | 7WF | Name: | 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid | Formula: | C10 H22 N2 O8 S2 | SMILES: | O[CH](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O | InChi: | InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)/t9-,10?/m1/s1 | Synonyms: | POPSO | Definition date: | 2017-01-25 | Last modified: | 2020-06-17 | Release date: | 2017-04-12 | Identifier: | 2-oxidanyl-3-[4-[(2~{R})-2-oxidanyl-3-sulfo-propyl]piperazin-1-yl]propane-1-sulfonic acid |
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![HBC HBC](https://data.pdbj.org/pdbjplus/data/cc/svg/HBC.svg) | HBC | Name: | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE | Formula: | C20 H21 N O | SMILES: | O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3 | InChi: | InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1 | Synonyms: | BICYCLO[2.2.1]HEPTANE | Definition date: | 2001-08-06 | Last modified: | 2020-06-17 | Identifier: | [(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone |
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![HCV HCV](https://data.pdbj.org/pdbjplus/data/cc/svg/HCV.svg) | HCV | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine | Formula: | C15 H27 N3 O6 S | SMILES: | O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS | InChi: | InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1 | Synonyms: | Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine | Definition date: | 2013-01-24 | Last modified: | 2020-06-17 | Release date: | 2013-02-01 | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine |
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![HDV HDV](https://data.pdbj.org/pdbjplus/data/cc/svg/HDV.svg) | HDV | Name: | 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me
thyl-9H-purin-6-amine | Formula: | C11 H17 F N5 O12 P3 | SMILES: | O=P(OCC1OC(C(C1O)F)n3c2c(c(nc(n2)C)N)nc3)(O)OP(OP(O)(=O)O)(O)=O | InChi: | InChI=1S/C11H17FN5O12P3/c1-4-15-9(13)7-10(16-4)17(3-14-7)11-6(12)8(18)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,8,11,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/t5-,6+,8-,11-/m1/s1 | Synonyms: | Clofarabine-TRIPHOSPHATE | Definition date: | 2018-06-27 | Last modified: | 2020-06-17 | Release date: | 2018-10-10 | Identifier: | 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-methyl-9H-purin-6-amine |
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![B8F B8F](https://data.pdbj.org/pdbjplus/data/cc/svg/B8F.svg) | B8F | Name: | (5beta)-3-oxours-12-en-28-oic acid | Formula: | C30 H46 O3 | SMILES: | C1C(=O)C(C3C(C1)(C2CC=C4C(C2(C)CC3)(CCC5(C4C(C(CC5)C)C)C(=O)O)C)C)(C)C | InChi: | InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1 | Synonyms: | Ursonic acid | Definition date: | 2019-01-22 | Last modified: | 2020-06-17 | Release date: | 2020-01-15 | Identifier: | (5beta)-3-oxours-12-en-28-oic acid |
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![HFD HFD](https://data.pdbj.org/pdbjplus/data/cc/svg/HFD.svg) | HFD | Name: | 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a
mine | Formula: | C10 H15 F N5 O13 P3 | SMILES: | O=P(OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)OP(OP(O)(O)=O)(O)=O | InChi: | InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1 | Synonyms: | Fludarabine-TRIPHOSPHATE | Definition date: | 2018-06-27 | Last modified: | 2020-06-17 | Release date: | 2018-10-10 | Identifier: | 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine |
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![HFS HFS](https://data.pdbj.org/pdbjplus/data/cc/svg/HFS.svg) | HFS | Name: | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | Formula: | C14 H17 N3 O3 S | SMILES: | O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3 | InChi: | InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) | Synonyms: | HYDROXYFASUDIL | Definition date: | 2005-10-26 | Last modified: | 2020-06-17 | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol |
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![HG1 HG1](https://data.pdbj.org/pdbjplus/data/cc/svg/HG1.svg) | HG1 | Name: | 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol | Formula: | C18 H35 N O7 | SMILES: | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1 | InChi: | InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1 | Synonyms: | C-HEGA-10 | Definition date: | 2013-10-16 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol |
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![HGD HGD](https://data.pdbj.org/pdbjplus/data/cc/svg/HGD.svg) | HGD | Name: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) | Formula: | C20 H32 Hg N6 O12 S2 | SMILES: | O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N | InChi: | InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16 | Synonyms: | S-Mercury glutathione | Definition date: | 2013-10-31 | Last modified: | 2020-06-17 | Release date: | 2014-03-19 | Identifier: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) |
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![BAI BAI](https://data.pdbj.org/pdbjplus/data/cc/svg/BAI.svg) | BAI | Name: | (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE | Formula: | C16 H14 N6 | SMILES: | [N@H]=C(c4ccc1c(nc(n1)Cc2nc3ccccc3n2)c4)N | InChi: | InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22) | Synonyms: | HEMI-BABIM | Definition date: | 1999-08-02 | Last modified: | 2020-06-17 | Identifier: | 2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-5-carboximidamide |
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![HH3 HH3](https://data.pdbj.org/pdbjplus/data/cc/svg/HH3.svg) | HH3 | Name: | (2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid | Formula: | C9 H9 N O4 | SMILES: | O=C(NC(O)C(=O)O)c1ccccc1 | InChi: | InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)/t8-/m0/s1 | Synonyms: | alpha-hydroxyhippuric acid | Definition date: | 2009-01-26 | Last modified: | 2020-06-17 | Identifier: | (2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid |
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![BAT BAT](https://data.pdbj.org/pdbjplus/data/cc/svg/BAT.svg) | BAT | Name: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE | Formula: | C23 H31 N3 O4 S2 | SMILES: | O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2 | InChi: | InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 | Synonyms: | BATIMASTAT | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide |
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![BAX BAX](https://data.pdbj.org/pdbjplus/data/cc/svg/BAX.svg) | BAX | Name: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE | Formula: | C21 H16 Cl F3 N4 O3 | SMILES: | O=C(c3nccc(Oc2ccc(NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)cc2)c3)NC | InChi: | InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | Synonyms: | Sorafenib | Definition date: | 2004-02-05 | Last modified: | 2020-06-17 | Identifier: | 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide |
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![BC3 BC3](https://data.pdbj.org/pdbjplus/data/cc/svg/BC3.svg) | BC3 | Name: | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C12 H11 N5 O | SMILES: | O=C1c2c(N=C(N1)N)c(cn2)Cc3cccnc3 | InChi: | InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18) | Synonyms: | peldesine,BCX-34 | Definition date: | 2008-06-25 | Last modified: | 2020-06-17 | Identifier: | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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![BC4 BC4](https://data.pdbj.org/pdbjplus/data/cc/svg/BC4.svg) | BC4 | Name: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one | Formula: | C11 H16 N2 O S | SMILES: | O=C1NC2C(SCC2N1)CCCCC#C | InChi: | InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1 | Synonyms: | biotin acetylene | Definition date: | 2013-10-17 | Last modified: | 2020-06-17 | Release date: | 2013-10-30 | Identifier: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one |
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![BCG BCG](https://data.pdbj.org/pdbjplus/data/cc/svg/BCG.svg) | BCG | Name: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | Formula: | C16 H19 N O4 | SMILES: | O=C(O)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2 | InChi: | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 | Synonyms: | BENZOYLECGONINE | Definition date: | 2003-09-15 | Last modified: | 2020-06-17 | Identifier: | (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
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![S7M S7M](https://data.pdbj.org/pdbjplus/data/cc/svg/S7M.svg) | S7M | Name: | [(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls
ulfonium | Formula: | C16 H25 N6 O5 S | SMILES: | O=C(O)C(N)CC[S+](CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C16H24N6O5S/c1-2-28(4-3-8(17)16(25)26)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2-,18,19,20,25,26)/p+1/t8-,9+,11+,12+,15+,28-/m0/s1 | Synonyms: | S-ADENOSYL ETHIONINE | Definition date: | 2013-06-07 | Last modified: | 2020-06-17 | Release date: | 2013-06-19 | Identifier: | [(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethylsulfonium (non-preferred name) |
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![BDT BDT](https://data.pdbj.org/pdbjplus/data/cc/svg/BDT.svg) | BDT | Name: | 5-beta-DIHYDROTESTOSTERONE | Formula: | C19 H30 O2 | SMILES: | O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1 | Synonyms: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one | Definition date: | 2008-07-15 | Last modified: | 2020-06-17 | Identifier: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one |
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