compound 1 [WO2014017936]

Ligand id: 8990

Name: compound 1 [WO2014017936]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 93.25
Molecular weight 327.17
XLogP 1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kiss LE, Learmonth DA, Da Costa Pereira Rosa CP, Gusmao De Norohna NR, Palma PNL, Soares Da Silva PMVA, Beliaev A. (2011)
Pharmaceutical compounds.
Patent number: WO2010074588 A8. Assignee: BIAL-PORTELA and CA, S.A.. Priority date: 23/12/2008. Publication date: 06/10/2011.
2. Rosa Da Costa Pereira CP, Gusmao De Norohna NR, Kiss LE, Soares Da Silva PMVA, Russo D, Wahnon JBR, Maton W. (2014)
Urea compounds and their use as enzyme inhibitors.
Patent number: WO2014017936 A3. Assignee: BIAL-PORTELA and CA, S.A.. Priority date: 24/07/2012. Publication date: 18/09/2014.