compound 8 [PMID: 22533316]

Ligand id: 6716

Name: compound 8 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 13
Topological polar surface area 32.78
Molecular weight 440.27
XLogP 7.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(trifluoromethyl)phenyl N-methyl-N-[(1s,4r)-4-{5-[methyl(prop-2-en-1-yl)amino]pentyl}cyclohexyl]carbamate
Database Links
ChEMBL Ligand CHEMBL1186073
PubChem CID 10138152
Search Google for chemical match using the InChIKey QTPDFYJYCCDNKD-XUTJKUGGSA-N
Search Google for chemicals with the same backbone QTPDFYJYCCDNKD
Search UniChem for chemical match using the InChIKey QTPDFYJYCCDNKD-XUTJKUGGSA-N
Search UniChem for chemicals with the same backbone QTPDFYJYCCDNKD
Comments
The structure of this compound was taken from the article which describes its discovery [1]. PubChem CID 10138152 shows the non-chiral molecule.