General Information of the Compound
| Compound ID |
CP0483435
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| Compound Name |
3-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C20H17F3O3
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| Molecular Weight |
362.347
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2C)C(F)(F)F)cc1
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| InChI |
InChI=1S/C20H17F3O3/c1-3-4-15(12-19(24)25)14-5-8-17(9-6-14)26-18-10-7-16(11-13(18)2)20(21,22)23/h5-11,15H,12H2,1-2H3,(H,24,25)
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| InChIKey |
HDZWIFIVSXGBEY-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: PT04613, Free fatty acid receptor 1