compound 24 [PMID: 23441572]

Ligand id: 8147

Name: compound 24 [PMID: 23441572]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 65.77
Molecular weight 532.22
XLogP 5.8
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Database Links
ChEMBL Ligand CHEMBL2324924
PubChem CID 71605047
Search Google for chemical match using the InChIKey VSJSIOZQNZPUAV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VSJSIOZQNZPUAV
Search UniChem for chemical match using the InChIKey VSJSIOZQNZPUAV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VSJSIOZQNZPUAV
Comments
Compound 24 targets wild yype and mutant Abl kinases [1].