example 2 [WO2013004676]

Ligand id: 7852

Name: example 2 [WO2013004676]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 105.67
Molecular weight 390.07
XLogP 3.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Blass B. (2013)
Cyclopropyl-Fused 1,3-Thiazepines as BACE1 and BACE2 Inhibitors.
ACS Med Chem Lett4 (4): 379-80. [PMID:24900681]
2. Woltering T. (2012)
Cyclopropyl-fused-1,3-thiazepines as bace 1 and/or bace 2 inhibitors.
Patent number: WO2013004676. Assignee: Roche. Priority date: 06/07/2011. Publication date: 10/01/2012.