compound 2b-1 [PMID: 12614873]

Ligand id: 3696

Name: compound 2b-1 [PMID: 12614873]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 87.9
Molecular weight 584.37
XLogP 6.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Naya A, Ishikawa M, Matsuda K, Ohwaki K, Saeki T, Noguchi K, Ohtake N. (2003)
Structure-activity relationships of xanthene carboxamides, novel CCR1 receptor antagonists.
Bioorg. Med. Chem., 11 (6): 875-84. [PMID:12614873]