diethylstilbestrol   Click here for help

GtoPdb Ligand ID: 2801

Synonyms: stilboestrol
Approved drug PDB Ligand
diethylstilbestrol is an approved drug (FDA (1973))
Comment: Estrogen receptor alpha agonist
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 40.46
Molecular weight 268.15
XLogP 5.56
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O
Isomeric SMILES CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O
InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChI Key RGLYKWWBQGJZGM-ISLYRVAYSA-N
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Summary of Clinical Use Click here for help
A non-steroidal synthetic estrogen used in the treatment of menopausal and post-menpausal disorders