Ligand id: 5615

Name: CVT-6883

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.12
Molecular weight 446.17
XLogP 3.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Elzein E, Kalla RV, Li X, Perry T, Gimbel A, Zeng D, Lustig D, Leung K, Zablocki J. (2008)
Discovery of a novel A2B adenosine receptor antagonist as a clinical candidate for chronic inflammatory airway diseases.
J. Med. Chem., 51 (7): 2267-78. [PMID:18321039]