General Information of the Compound
| Compound ID |
CP0397768
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| Compound Name |
3-[2-fluoro-4-[2-(3-methylphenyl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C18H15FO2
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| Molecular Weight |
282.314
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| Canonical SMILES |
Cc1cccc(c1)C#Cc1ccc(CCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C18H15FO2/c1-13-3-2-4-14(11-13)5-6-15-7-8-16(17(19)12-15)9-10-18(20)21/h2-4,7-8,11-12H,9-10H2,1H3,(H,20,21)
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| InChIKey |
MIGPPTICIDJWPN-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