GW9508   Click here for help

GtoPdb Ligand ID: 1050

Synonyms: GW 9508 | GW-9508
Compound class: Synthetic organic
Comment: GW9508 is a free fatty acid receptor (FFA1R, GPR40) partial agonist with a range of in vivo effects.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 58.56
Molecular weight 347.15
XLogP 4.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1
Isomeric SMILES OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1
InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
InChI Key DGENZVKCTGIDRZ-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel