General Information of the Compound
| Compound ID |
CP0404322
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| Compound Name |
3-[2-fluoro-4-[(E)-3-methylpent-3-en-1-ynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C15H15FO2
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| Molecular Weight |
246.281
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| Canonical SMILES |
C\C=C(/C)C#Cc1ccc(CCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C15H15FO2/c1-3-11(2)4-5-12-6-7-13(14(16)10-12)8-9-15(17)18/h3,6-7,10H,8-9H2,1-2H3,(H,17,18)/b11-3+
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| InChIKey |
ZHOWKHLSVSSENE-QDEBKDIKSA-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