compound 7a [PMID: 24884590]

Ligand id: 8840

Name: compound 7a [PMID: 24884590]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 62.47
Molecular weight 439.14
XLogP 7.8
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
Database Links
ChEMBL Ligand CHEMBL3299119
PubChem CID 44623954
Search Google for chemical match using the InChIKey LBKIJSKRXVUWER-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LBKIJSKRXVUWER
Search UniChem for chemical match using the InChIKey LBKIJSKRXVUWER-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LBKIJSKRXVUWER
Comments
Compound 7a is reported as an agonist of the orphan GPCR, GPR52 [1].