PF0998425

Ligand Id: 6698
Ligand name PF0998425

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 44.02
Molecular weight 269.1
XLogP 4.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzonitrile
Synonyms
PF-998425
Database Links
CAS Registry No. 1076225-27-8 (source: SciFinder)
ChEMBL Ligand CHEMBL458084
PubChem CID 25093231
Search Google for chemical match using the InChIKey MENRRRXHFQYXDW-DGCLKSJQSA-N
Search Google for chemicals with the same backbone MENRRRXHFQYXDW