compound 70 [PMID: 26161824]

Ligand id: 8706

Name: compound 70 [PMID: 26161824]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.41
Molecular weight 523.12
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[4-(4-cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide
Database Links
PubChem CID 46894021
Search Google for chemical match using the InChIKey VQXIVPLXEIZJTH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VQXIVPLXEIZJTH
Search UniChem for chemical match using the InChIKey VQXIVPLXEIZJTH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VQXIVPLXEIZJTH
Comments
Compound 70 is a potent, peripherally acting, selective antagonist of the cannabinoid CB1 receptor, with much reduced adverse CNS effects than rimonabant.