Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1IVR2
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| Ligand Name |
16beta-[3-(Aminocarbonyl)benzyl]-3-(2-bromoethyl)estrane-1(10),2,4-triene-17beta-ol
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| Synonyms |
CHEMBL2203397; SCHEMBL12966889; BDBM50400509; 16beta-[3-(Aminocarbonyl)benzyl]-3-(2-bromoethyl)estrane-1(10),2,4-triene-17beta-ol; 3-{[(16beta,17beta)-3-(2-bromoethyl)-17-hydroxyestra-1(10),2,4-trien-16-yl]methyl}benzamide
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| Structure |
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Download2D MOL |
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| Formula |
C28H34BrNO2
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| Canonical SMILES |
CC12CCC3C(C1CC(C2O)CC4=CC(=CC=C4)C(=O)N)CCC5=C3C=CC(=C5)CCBr
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| InChI |
1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1
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| InChIKey |
LSFSILMVQQMGRP-OPRSCSRJSA-N
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| PubChem Compound ID | ||||
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