AC45594   Click here for help

GtoPdb Ligand ID: 5422

Synonyms: 4-(heptyloxy)benzolol | 4-heptoxyphenol
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 29.46
Molecular weight 208.15
XLogP 4.59
No. Lipinski's rules broken 0
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Canonical SMILES CCCCCCCOc1ccc(cc1)O
Isomeric SMILES CCCCCCCOc1ccc(cc1)O
InChI InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
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]