compound 10 [PMID: 22533316]

Ligand id: 6717

Name: compound 10 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 70.08
Molecular weight 422.2
XLogP 3.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-chlorophenyl N-methyl-N-{2-[(1r,4r)-4-[(4-hydroxypiperidin-1-yl)carbonyl]cyclohexyl]ethyl}carbamate
Database Links
ChEMBL Ligand CHEMBL2164238
PubChem CID 11475734
Search Google for chemical match using the InChIKey PAHWPIPXJDOVHD-QAQDUYKDSA-N
Search Google for chemicals with the same backbone PAHWPIPXJDOVHD
Search UniChem for chemical match using the InChIKey PAHWPIPXJDOVHD-QAQDUYKDSA-N
Search UniChem for chemicals with the same backbone PAHWPIPXJDOVHD
Comments
The structure of this compound was taken from the article which describes its discovery [1]. PubChem CID 11475734 shows the non-chiral molecule.