AZ12260493   Click here for help

GtoPdb Ligand ID: 7725

Synonyms: AZ 12260493 | AZ-12260493
Compound class: Synthetic organic
Comment: AZ12260493 was developed as an agonist of the liver X receptors α and β and investigated as a treatment for dyslipidaemia. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 78.1
Molecular weight 439.19
XLogP 5.28
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1
Isomeric SMILES O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1
InChI InChI=1S/C24H29N3O3S/c1-24(2,3)27-23(28)21(22(31(27,29)30)18-10-6-4-7-11-18)25-19-12-14-20(15-13-19)26-16-8-5-9-17-26/h4,6-7,10-15,25H,5,8-9,16-17H2,1-3H3
InChI Key IVANYIPLGFVBGR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-tert-butyl-1,1-dioxo-5-phenyl-4-[(4-piperidin-1-ylphenyl)amino]-1,2-thiazol-3-one
Synonyms Click here for help
AZ 12260493 | AZ-12260493
Database Links Click here for help
GtoPdb PubChem SID 223366058
PubChem CID 11655079
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