compound 3 [PMID: 19191557]

Ligand id: 3126

Name: compound 3 [PMID: 19191557]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 146
Molecular weight 434.03
XLogP 5.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1-phosphonato-4-{4-[4-(trifluoromethyl)phenyl]phenyl}butyl)phosphonate
Database Links
ChEMBL Ligand CHEMBL1207938
PubChem CID 56947011
Search Google for chemical match using the InChIKey UPZLJSDZIBONGH-UHFFFAOYSA-J
Search Google for chemicals with the same backbone UPZLJSDZIBONGH
Search UniChem for chemical match using the InChIKey UPZLJSDZIBONGH-UHFFFAOYSA-J
Search UniChem for chemicals with the same backbone UPZLJSDZIBONGH
Comments
ChEMBL represents this compound without the charges.