diarylpropionitrile   

GtoPdb Ligand ID: 2825

Abbreviated name: DPN
Compound class: Synthetic organic
Comment: DPN is an estrogen receptor β selective agonist [3].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 64.25
Molecular weight 239.09
XLogP 2.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O
Isomeric SMILES N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O
InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
InChI Key GHZHWDWADLAOIQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2,3-bis(4-hydroxyphenyl)propanenitrile
Comments
DPN is an estrogen receptor β selective agonist [3].
Database Links
BindingDB Ligand 50106635
CAS Registry No. 1428-67-7 (source: Scifinder)
ChEMBL Ligand CHEMBL334773
GtoPdb PubChem SID 53801030
NURSA Ligand 10.1621/PZBLDIG6Z7
PubChem CID 102614
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DPN
Cat. No. 1494