clofilium

Ligand id: 2507

Name: clofilium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 13
Topological polar surface area 0
Molecular weight 338.26
XLogP 7.64
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(4-chlorophenyl)butyl-diethyl-heptylazanium
International Nonproprietary Names
INN number INN
4718 clofilium phosphate
Database Links
BindingDB Ligand 50151851
CAS Registry No. 68379-02-2 (source: Scifinder)
ChEMBL Ligand CHEMBL9484
PubChem CID 2798
Search Google for chemical match using the InChIKey WPSYTTKBGAZSCX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WPSYTTKBGAZSCX
Search PubMed clinical trials clofilium phosphate
Search PubMed titles clofilium phosphate
Search PubMed titles/abstracts clofilium phosphate
Search UniChem for chemical match using the InChIKey WPSYTTKBGAZSCX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WPSYTTKBGAZSCX
Wikipedia Clofilium