WAY200070   Click here for help

GtoPdb Ligand ID: 4052

Synonyms: WAY 200070 | WAY-200070
Compound class: Synthetic organic
Comment: WAY200070 is an estrogen receptor β (ERβ) selective agonist (68-fold selective over ERα) [1-2]. It displays antianxiolytic and antidepressive effects in vivo [2].
The PubChem CID above represents an alternative tautomer which is an intermediate of the equilibrium shift between phenol and phenolate undergone by the phenol group.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 66.49
Molecular weight 304.97
XLogP 3.15
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Oc1ccc(cc1)c1oc2c(n1)cc(cc2Br)O
Isomeric SMILES Oc1ccc(cc1)c1oc2c(n1)cc(cc2Br)O
InChI InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H