CCT244747

Ligand id: 8215

Name: CCT244747

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 114.01
Molecular weight 408.2
XLogP 0.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Lainchbury M, Matthews TP, McHardy T, Boxall KJ, Walton MI, Eve PD, Hayes A, Valenti MR, de Haven Brandon AK, Box G et al.. (2012)
Discovery of 3-alkoxyamino-5-(pyridin-2-ylamino)pyrazine-2-carbonitriles as selective, orally bioavailable CHK1 inhibitors.
J. Med. Chem.55 (22): 10229-40. [PMID:23082860]