compound 36 [PMID: 21273063]

Ligand id: 5747

Name: compound 36 [PMID: 21273063]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 58.04
Molecular weight 376.24
XLogP 3.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-ethynyl-4-methyl-6-{4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]piperidin-1-yl}pyrimidine
Database Links
GtoPdb PubChem SID 178102373
PubChem CID 73755153
Search Google for chemical match using the InChIKey GIKAEVLPYSTAGY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GIKAEVLPYSTAGY
Search UniChem for chemical match using the InChIKey GIKAEVLPYSTAGY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GIKAEVLPYSTAGY