compound 9g [PMID: 24412111]

Ligand id: 8509

Name: compound 9g [PMID: 24412111]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 104.65
Molecular weight 500.17
XLogP 4.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Matsufuji T, Shimada K, Kobayashi S, Kawamura A, Fujimoto T, Arita T, Hara T, Konishi M, Abe-Ohya R, Izumi M et al.. (2014)
Discovery of novel chiral diazepines as bombesin receptor subtype-3 (BRS-3) agonists with low brain penetration.
Bioorg. Med. Chem. Lett., 24 (3): 750-5. [PMID:24412111]