compound R-16 [PMID: 21967808]

Ligand id: 8213

Name: compound R-16 [PMID: 21967808]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 140.38
Molecular weight 594.23
XLogP 4.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Milkiewicz KL, Aimone LD, Albom MS, Angeles TS, Chang H, Grobelny JV, Husten J, Losardo C, Miknyoczki S, Murthy S et al.. (2011)
Improvement in oral bioavailability of 2,4-diaminopyrimidine c-Met inhibitors by incorporation of a 3-amidobenzazepin-2-one group.
Bioorg. Med. Chem., 19 (21): 6274-84. [PMID:21967808]