compound 48 [PMID: 22364337]

Ligand id: 6320

Name: compound 48 [PMID: 22364337]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 66.22
Molecular weight 377.15
XLogP 4.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-butyl-4-{3-fluoro-4-[(2-methylpyridin-4-yl)oxy]phenyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile
Database Links
ChEMBL Ligand CHEMBL2029821
PubChem CID 25002940
Search Google for chemical match using the InChIKey IPTWXMISVLTMAV-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey IPTWXMISVLTMAV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IPTWXMISVLTMAV