compound 34h [PMID: 27055065]

Ligand id: 9169

Name: compound 34h [PMID: 27055065]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 89.78
Molecular weight 431.24
XLogP 3.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hoelder S, Blagg J, Solanki S, Woodward H, Naud S, Bavetsias V, Sheldrake P, Innocenti P, Cheung J, Atrash B. (2014)
Inhibitor compounds.
Patent number: WO2014037750. Assignee: Cancer Research Technology Limited. Priority date: 07/09/2012. Publication date: 13/03/2014.
2. Innocenti P, Woodward HL, Solanki S, Naud S, Westwood IM, Cronin N, Hayes A, Roberts J, Henley AT, Baker R et al.. (2016)
Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J. Med. Chem., 59 (8): 3671-88. [PMID:27055065]