compound 53 [PMID: 19631533]

Ligand id: 8811

Name: compound 53 [PMID: 19631533]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 102.36
Molecular weight 447.2
XLogP 1.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hughes RO, Walker JK, Rogier DJ, Heasley SE, Blevis-Bal RM, Benson AG, Jacobsen EJ, Cubbage JW, Fobian YM, Owen DR et al.. (2009)
Optimization of the aminopyridopyrazinones class of PDE5 inhibitors: discovery of 3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one.
Bioorg. Med. Chem. Lett., 19 (17): 5209-13. [PMID:19631533]