Ligand id: 5422

Name: AC45594

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 29.46
Molecular weight 208.15
XLogP 4.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Del Tredici AL, Andersen CB, Currier EA, Ohrmund SR, Fairbain LC, Lund BW, Nash N, Olsson R, Piu F. (2008)
Identification of the first synthetic steroidogenic factor 1 inverse agonists: pharmacological modulation of steroidogenic enzymes.
Mol. Pharmacol., 73 (3): 900-8. [PMID:18055761]
2. Madoux F, Li X, Chase P, Zastrow G, Cameron MD, Conkright JJ, Griffin PR, Thacher S, Hodder P. (2008)
Potent, selective and cell penetrant inhibitors of SF-1 by functional ultra-high-throughput screening.
Mol. Pharmacol., 73 (6): 1776-84. [PMID:18334597]