Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L2LAG5
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| Ligand Name |
3-{[(9beta,14beta,16alpha,17alpha)-3,17-Dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
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| Synonyms |
CHEMBL410242; 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide; E2B; 3hb4; 16Beta-(M-Carbamoylbenzyl)Estradiol; BDBM50373700; Q27459830; 3-(3,17beta-Dihydroxyestra-1,3,5(10)-triene-16beta-ylmethyl)benzamide
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| Structure |
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Download2D MOL |
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| Formula |
C26H31NO3
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| Canonical SMILES |
CC12CCC3C(C1CC(C2O)CC4=CC(=CC=C4)C(=O)N)CCC5=C3C=CC(=C5)O
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| InChI |
1S/C26H31NO3/c1-26-10-9-21-20-8-6-19(28)13-16(20)5-7-22(21)23(26)14-18(24(26)29)12-15-3-2-4-17(11-15)25(27)30/h2-4,6,8,11,13,18,21-24,28-29H,5,7,9-10,12,14H2,1H3,(H2,27,30)/t18-,21+,22+,23-,24-,26-/m0/s1
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| InChIKey |
RSVOVHDOLNWYER-RYZVYYIHSA-N
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| PubChem Compound ID | ||||
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