compound 8a [PMID: 24900283]

Ligand id: 8503

Name: compound 8a [PMID: 24900283]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 70.68
Molecular weight 489.17
XLogP 8.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Liu P, Lanza Jr TJ, Chioda M, Jones C, Chobanian HR, Guo Y, Chang L, Kelly TM, Kan Y, Palyha O et al.. (2011)
Discovery of benzodiazepine sulfonamide-based bombesin receptor subtype 3 agonists and their unusual chirality.
ACS Med Chem Lett, 2 (12): 933-7. [PMID:24900283]