Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBJ0K7
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| Ligand Name |
(17beta)-17-{(E)-2-[2-(Trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-Triene-3,17-Diol
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| Synonyms |
(17beta)-17-{(E)-2-[2-(Trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-Triene-3,17-Diol; (13S,17R)-13-methyl-17-(2-(trifluoromethyl)styryl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; CHEMBL219585; SCHEMBL2677989; 2p15; 17-[2-(Trifluoromethyl)styryl]-17beta-estradiol; Q27460101; (17R,20E)-21-[2-(Trifluoromethyl)phenyl]-19-norpregna-1,3,5(10),20-tetrene-3,17-diol
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| Structure |
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Download2D MOL |
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| Formula |
C27H29F3O2
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| Canonical SMILES |
CC12CCC3C(C1CCC2(C=CC4=CC=CC=C4C(F)(F)F)O)CCC5=C3C=CC(=C5)O
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| InChI |
1S/C27H29F3O2/c1-25-13-11-21-20-9-7-19(31)16-18(20)6-8-22(21)24(25)12-15-26(25,32)14-10-17-4-2-3-5-23(17)27(28,29)30/h2-5,7,9-10,14,16,21-22,24,31-32H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,24+,25+,26+/m1/s1
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| InChIKey |
WSMPLUQFTPBNJI-NYFISDDFSA-N
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| PubChem Compound ID | ||||
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