compound 36 [PMID: 21958547]

Ligand id: 9391

Name: compound 36 [PMID: 21958547]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 65.76
Molecular weight 438.25
XLogP 3.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kim KH, Maderna A, Schnute ME, Hegen M, Mohan S, Miyashiro J, Lin L, Li E, Keegan S, Lussier J et al.. (2011)
Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorg. Med. Chem. Lett., 21 (21): 6258-63. [PMID:21958547]