AR234958   Click here for help

GtoPdb Ligand ID: 11279

Compound class: Synthetic organic
Comment: AR234958 is a small molecule AT2R agonist [1]. AR234960 (EC50 239 nM) is another selective agonist from this report.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 104.61
Molecular weight 572.19
XLogP 4.78
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccc(cc1)F)[N+](=O)[O-]
Isomeric SMILES COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccc(cc1)F)[N+](=O)[O-]
InChI InChI=1S/C28H30F2N4O5S/c1-39-27-16-25(34(35)36)9-10-28(27)40(37,38)33-18-21(26(19-33)20-3-2-4-23(30)15-20)17-31-11-13-32(14-12-31)24-7-5-22(29)6-8-24/h2-10,15-16,21,26H,11-14,17-19H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand AR234958
Other databases
GtoPdb PubChem SID 434321714
Search Google for chemical match using the InChIKey YSSZKXGYBVLEJP-UHFFFAOYSA-N
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