General Information of the Compound
| Compound ID |
CP0422117
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| Compound Name |
3-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H16F3NO2
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| Molecular Weight |
323.314
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| Canonical SMILES |
OC(=O)CCc1ccc(NCc2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C17H16F3NO2/c18-17(19,20)14-3-1-2-13(10-14)11-21-15-7-4-12(5-8-15)6-9-16(22)23/h1-5,7-8,10,21H,6,9,11H2,(H,22,23)
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| InChIKey |
XCCATJLYGSTPJJ-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
Protein ID: PT04427, Free fatty acid receptor 4