compound 5b [PMID: 16686537]

Ligand id: 8616

Name: compound 5b [PMID: 16686537]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 18
Topological polar surface area 113.6
Molecular weight 475.3
XLogP 6.81
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Rydzewski RM, Burrill L, Mendonca R, Palmer JT, Rice M, Tahilramani R, Bass KE, Leung L, Gjerstad E, Janc JW et al.. (2006)
Optimization of subsite binding to the beta5 subunit of the human 20S proteasome using vinyl sulfones and 2-keto-1,3,4-oxadiazoles: syntheses and cellular properties of potent, selective proteasome inhibitors.
J. Med. Chem., 49 (10): 2953-68. [PMID:16686537]