compound 38 [PMID: 22123324]

Ligand id: 7757

Name: compound 38 [PMID: 22123324]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 63.29
Molecular weight 466.27
XLogP 6.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Chen X, Mihalic J, Fan P, Liang L, Lindstrom M, Wong S, Ye Q, Fu Y, Jaen J, Chen JL et al.. (2012)
Discovery and characterization of a potent and selective antagonist of melanin-concentrating hormone receptor 2.
Bioorg. Med. Chem. Lett., 22 (1): 363-6. [PMID:22123324]