compound 5 [PMID: 22533316]

Ligand id: 6715

Name: compound 5 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 53.01
Molecular weight 420.22
XLogP 4.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[ethyl(2-hydroxyethyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate
Database Links
ChEMBL Ligand CHEMBL2219906
GtoPdb PubChem SID 178103326
PubChem CID 10159157
Search Google for chemical match using the InChIKey UBLUCOHGNHINJX-XUTJKUGGSA-N
Search Google for chemicals with the same backbone UBLUCOHGNHINJX
Search UniChem for chemical match using the InChIKey UBLUCOHGNHINJX-XUTJKUGGSA-N
Search UniChem for chemicals with the same backbone UBLUCOHGNHINJX
Comments
The structure of this ligand was drawn as shown in the listed reference. CID 10159157 shows the non-chiral compound.