Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L31IVG
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| Ligand Name |
(14beta,17alpha)-21-(4-Aminophenyl)-19-Norpregna-1(10),2,4-Trien-20-Yne-3,17-Diol
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| Synonyms |
CHEMBL603966; (14beta,17alpha)-21-(4-Aminophenyl)-19-Norpregna-1(10),2,4-Trien-20-Yne-3,17-Diol; BDBM50309555; 17-(4-Aminophenylethynyl)-1,3,5(10)-estratriene-3,17beta-diol; 17alpha-(4-Aminophenyl)ethynyl-estra-1,3,5(10)-triene-3,17b-diol
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| Structure |
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Download2D MOL |
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| Formula |
C26H29NO2
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| Canonical SMILES |
CC12CCC3C(C1CCC2(C#CC4=CC=C(C=C4)N)O)CCC5=C3C=CC(=C5)O
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| InChI |
1S/C26H29NO2/c1-25-13-11-22-21-9-7-20(28)16-18(21)4-8-23(22)24(25)12-15-26(25,29)14-10-17-2-5-19(27)6-3-17/h2-3,5-7,9,16,22-24,28-29H,4,8,11-13,15,27H2,1H3/t22-,23-,24+,25+,26+/m1/s1
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| InChIKey |
FQPSDHHNLDJLLV-JMTTVTNBSA-N
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| PubChem Compound ID | ||||
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