compound 14 [PMID: 18800762]

Ligand id: 3194

Name: compound 14 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 150.62
Molecular weight 437.17
XLogP 2.36
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(decyloxy)-5-(2-hydrogen phosphonato-2-phosphonoethyl)-1-methylpyridin-1-ium
Synonyms
bisphosphonate, 14
Database Links
ChEMBL Ligand CHEMBL494694
GtoPdb PubChem SID 135649714
PubChem CID 25023861
Search Google for chemical match using the InChIKey PUCSJEGLZHMUSS-UHFFFAOYSA-N
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