compound 9f [PMID: 24412111]

Ligand id: 8508

Name: compound 9f [PMID: 24412111]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 91.76
Molecular weight 479.2
XLogP 5.19
No. Lipinski's rules broken 1

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]