compound 2 [PMID: 21939274]

Ligand id: 5744

Name: compound 2 [PMID: 21939274]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 102.63
Molecular weight 412.2
XLogP 4.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-cyano-3-methylphenyl)-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pyridine-3-carbonitrile
Database Links
PubChem CID 73755152
Search Google for chemical match using the InChIKey TXALYVIWRLTFFP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TXALYVIWRLTFFP
Search UniChem for chemical match using the InChIKey TXALYVIWRLTFFP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TXALYVIWRLTFFP