Ligand id: 5603


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 69.3
Molecular weight 322.18
XLogP 3.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Holschbach MH, Olsson RA, Bier D, Wutz W, Sihver W, Schüller M, Palm B, Coenen HH. (2002)
Synthesis and evaluation of no-carrier-added 8-cyclopentyl-3-(3-[(18)F]fluoropropyl)-1-propylxanthine ([(18)F]CPFPX): a potent and selective A(1)-adenosine receptor antagonist for in vivo imaging.
J. Med. Chem., 45 (23): 5150-6. [PMID:12408725]