Ligand id: 5616

Name: ATL802

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 115.39
Molecular weight 513.17
XLogP 3.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kim YC, Ji X, Melman N, Linden J, Jacobson KA. (2000)
Anilide derivatives of an 8-phenylxanthine carboxylic congener are highly potent and selective antagonists at human A(2B) adenosine receptors.
J. Med. Chem., 43 (6): 1165-72. [PMID:10737749]