compound 11 [PMID: 12812482]

Ligand id: 665

Name: compound 11 [PMID: 12812482]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 128.35
Molecular weight 585.1
XLogP 4.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Su DS, Markowitz MK, DiPardo RM, Murphy KL, Harrell CM, O'Malley SS, Ransom RW, Chang RS, Ha S, Hess FJ, Pettibone DJ, Mason GS, Boyce S, Freidinger RM, Bock MG. (2003)
Discovery of a potent, non-peptide bradykinin B1 receptor antagonist.
J Am Chem Soc, 125: 7516-7517. [PMID:12812482]