compound rac-16 [PMID: 15603962]

Ligand id: 2333

Name: compound rac-16 [PMID: 15603962]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 52.6
Molecular weight 386.05
XLogP 3.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4,7-dihydro-1H-2-benzofuran-5-carboxylate
Database Links
BindingDB Ligand 50158083
ChEMBL Ligand CHEMBL180371
PubChem CID 11222922
Search Google for chemical match using the InChIKey WMQUFXJLJGXXJD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WMQUFXJLJGXXJD
Search UniChem for chemical match using the InChIKey WMQUFXJLJGXXJD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WMQUFXJLJGXXJD