compound 30 [PMID: 16455256]

Ligand id: 8813

Name: compound 30 [PMID: 16455256]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 122.29
Molecular weight 492.18
XLogP 2.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Guile SD, Bantick JR, Cheshire DR, Cooper ME, Davis AM, Donald DK, Evans R, Eyssade C, Ferguson DD, Hill S et al.. (2006)
Potent blockers of the monocarboxylate transporter MCT1: novel immunomodulatory compounds.
Bioorg. Med. Chem. Lett., 16 (8): 2260-5. [PMID:16455256]