GRN-529

Ligand id: 6428

Name: GRN-529

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 55.32
Molecular weight 391.11
XLogP 4.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-{2-[2-(difluoromethoxy)-5-({5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}carbonyl)phenyl]ethynyl}pyridine
Database Links
CAS Registry No. 1253291-12-1 (source: Scifinder)
ChEMBL Ligand CHEMBL3122220
PubChem CID 59548652
Search Google for chemical match using the InChIKey JITMSIRHBAVREW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JITMSIRHBAVREW
Search UniChem for chemical match using the InChIKey JITMSIRHBAVREW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JITMSIRHBAVREW
Wikipedia GRN-529