compound 7 [PMID: 22533316]

Ligand id: 6713

Name: compound 7 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 53.01
Molecular weight 430.24
XLogP 5.5
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-{2-[(1r,4r)-4-{[ethyl(2-hydroxyethyl)amino]methyl}cyclohexyl]ethyl}carbamate
Database Links
ChEMBL Ligand CHEMBL2219824
GtoPdb PubChem SID 178103324
PubChem CID 10127223
Search Google for chemical match using the InChIKey MUXRZYNIEMIEAL-IYARVYRRSA-N
Search Google for chemicals with the same backbone MUXRZYNIEMIEAL
Search UniChem for chemical match using the InChIKey MUXRZYNIEMIEAL-IYARVYRRSA-N
Search UniChem for chemicals with the same backbone MUXRZYNIEMIEAL
Comments
The structure of this compound was taken from the article which describes its discovery [1]. PubChem CID 10127223 shows the non-chiral molecule.