compound 6 [PMID: 22533316]

Ligand id: 6714

Name: compound 6 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 32.78
Molecular weight 404.22
XLogP 5.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[methyl(propyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate
Database Links
ChEMBL Ligand CHEMBL2219823
GtoPdb PubChem SID 178103325
PubChem CID 60154274
Search Google for chemical match using the InChIKey FXHALLFKKHHPNQ-XUTJKUGGSA-N
Search Google for chemicals with the same backbone FXHALLFKKHHPNQ
Search UniChem for chemical match using the InChIKey FXHALLFKKHHPNQ-XUTJKUGGSA-N
Search UniChem for chemicals with the same backbone FXHALLFKKHHPNQ
Comments
The structure of this compound was drawn as represented in the listed reference. CID 60154274 shows a non-chiral representation of the compound.