compound 47 [PMID: 18800762]

Ligand id: 3197

Name: compound 47 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 134.68
Molecular weight 491.9
XLogP 2.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[1,3-bis(2,4-dichlorophenyl)-2-phosphonopropan-2-yl]phosphonic acid
Synonyms
bisphosphonate, 47
Database Links
ChEMBL Ligand CHEMBL495315
PubChem CID 25023895
Search Google for chemical match using the InChIKey HOUGVWVFZPBNCB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HOUGVWVFZPBNCB
Search UniChem for chemical match using the InChIKey HOUGVWVFZPBNCB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HOUGVWVFZPBNCB