dazoxiben   Click here for help

GtoPdb Ligand ID: 5175

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 64.35
Molecular weight 232.08
XLogP 1.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccc(cc1)OCCn1cncc1
Isomeric SMILES OC(=O)c1ccc(cc1)OCCn1cncc1
InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
InChI Key XQGZSYKGWHUSDH-UHFFFAOYSA-N
References
1. Randall MJ, Parry MJ, Hawkeswood E, Cross PE, Dickinson RP. (1981)
UK-37, 248, a novel, selective thromboxane synthetase inhibitor with platelet anti-aggregatory and anti-thrombotic activity.
Thromb Res, 23 (1-2): 145-62. [PMID:6795753]