CID1172084

Ligand id: 5564

Name: CID1172084

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 134.95
Molecular weight 479.09
XLogP 5.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Kotsikorou E, Madrigal KE, Hurst DP, Sharir H, Lynch DL, Heynen-Genel S, Milan LB, Chung TD, Seltzman HH, Bai Y et al.. (2011)
Identification of the GPR55 agonist binding site using a novel set of high-potency GPR55 selective ligands.
Biochemistry50 (25): 5633-47. [PMID:21534610]