compound 1a [PMID: 18573659]

Ligand id: 8872

Name: compound 1a [PMID: 18573659]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 53.6
Molecular weight 525.06
XLogP 4.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jin J, An M, Sapienza A, Aiyar N, Naselsky D, Sarau HM, Foley JJ, Salyers KL, Knight SD, Keenan RM et al.. (2008)
Urotensin-II receptor antagonists: synthesis and SAR of N-cyclic azaalkyl benzamides.
Bioorg. Med. Chem. Lett., 18 (14): 3950-4. [PMID:18573659]