compound 16 [PMID: 18945615]

Ligand id: 8178

Name: compound 16 [PMID: 18945615]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 70.25
Molecular weight 413.19
XLogP 3.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Schlapbach A, Feifel R, Hawtin S, Heng R, Koch G, Moebitz H, Revesz L, Scheufler C, Velcicky J, Waelchli R et al.. (2008)
Pyrrolo-pyrimidones: a novel class of MK2 inhibitors with potent cellular activity.
Bioorg. Med. Chem. Lett., 18 (23): 6142-6. [PMID:18945615]