compound 7k [PMID: 23521020]

Ligand id: 8164

Name: compound 7k [PMID: 23521020]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 59.29
Molecular weight 386.09
XLogP 5.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gao M, Duan L, Luo J, Zhang L, Lu X, Zhang Y, Zhang Z, Tu Z, Xu Y, Ren X et al.. (2013)
Discovery and optimization of 3-(2-(Pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamides as novel selective and orally bioavailable discoidin domain receptor 1 (DDR1) inhibitors.
J. Med. Chem., 56 (8): 3281-95. [PMID:23521020]