General Information of the Compound
| Compound ID |
CP0136178
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| Compound Name |
3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid
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| Synonyms |
GW 9508
GW-9508
GW9508
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| Structure |
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| Formula |
C22H21NO3
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| Molecular Weight |
347.414
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| Canonical SMILES |
OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
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| 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)
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| InChIKey |
DGENZVKCTGIDRZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02793, Free fatty acid receptor 1
Cell-based Assay
Protein ID: PT02522, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4
Protein ID: PT06109, Geminin
Clinical Information about the Compound