compound 1l [PMID: 16644217]

Ligand id: 8810

Name: compound 1l [PMID: 16644217]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 110.57
Molecular weight 373.16
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Blackburn C, Guan B, Brown J, Cullis C, Condon SM, Jenkins TJ, Peluso S, Ye Y, Gimeno RE, Punreddy S et al.. (2006)
Identification and characterization of 4-aryl-3,4-dihydropyrimidin-2(1H)-ones as inhibitors of the fatty acid transporter FATP4.
Bioorg. Med. Chem. Lett., 16 (13): 3504-9. [PMID:16644217]