compound 32 [PMID: 19191557]

Ligand id: 3123

Name: compound 32 [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 160.95
Molecular weight 423.03
XLogP 2.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(1-benzofuran-5-yloxy)phenyl]-1-phosphonatobutane-1-sulfonate
Database Links
ChEMBL Ligand CHEMBL1208060
PubChem CID 56947050
Search Google for chemical match using the InChIKey ILJWMHLLBUNHIQ-UHFFFAOYSA-K
Search Google for chemicals with the same backbone ILJWMHLLBUNHIQ
Search UniChem for chemical match using the InChIKey ILJWMHLLBUNHIQ-UHFFFAOYSA-K
Search UniChem for chemicals with the same backbone ILJWMHLLBUNHIQ
Comments
ChEMBL represents this compound without the charges.