compound 28 [PMID: 24387221]

Ligand id: 8793

Name: compound 28 [PMID: 24387221]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 73.91
Molecular weight 355.18
XLogP 2.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Certal V, Carry JC, Halley F, Virone-Oddos A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Karlsson A, Charrier V, Delorme C et al.. (2014)
Discovery and optimization of pyrimidone indoline amide PI3Kβ inhibitors for the treatment of phosphatase and tensin homologue (PTEN)-deficient cancers.
J. Med. Chem.57 (3): 903-20. [PMID:24387221]