General Information of the Compound
| Compound ID |
CP0380317
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| Compound Name |
3-[2-fluoro-4-(3-methylbut-3-en-1-ynyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C14H13FO2
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| Molecular Weight |
232.254
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| Canonical SMILES |
CC(=C)C#Cc1ccc(CCC(O)=O)c(F)c1
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| InChI |
InChI=1S/C14H13FO2/c1-10(2)3-4-11-5-6-12(13(15)9-11)7-8-14(16)17/h5-6,9H,1,7-8H2,2H3,(H,16,17)
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| InChIKey |
FBUXBMCEXUKNSO-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