compound 17 [PMID: 23570514]

Ligand id: 8778

Name: compound 17 [PMID: 23570514]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 183.99
Molecular weight 515.17
XLogP 2.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Disch JS, Evindar G, Chiu CH, Blum CA, Dai H, Jin L, Schuman E, Lind KE, Belyanskaya SL, Deng J et al.. (2013)
Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3.
J. Med. Chem., 56 (9): 3666-79. [PMID:23570514]