compound 1 [WO2014017936]

Ligand id: 8990

Name: compound 1 [WO2014017936]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 93.25
Molecular weight 327.17
XLogP 1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(carbamoylamino)phenyl]-N-cyclopentyl-N-methylimidazole-1-carboxamide
Database Links
PubChem CID 72734378
Search Google for chemical match using the InChIKey SXKWDPMBWTZYCA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SXKWDPMBWTZYCA
Search UniChem for chemical match using the InChIKey SXKWDPMBWTZYCA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SXKWDPMBWTZYCA
Comments
This structure was the initial guess for BIA 10-2474 inhibitor of fattty acid amide hydrolase (FAAH), on the basis of process patents [1] and [2].