General Information of the Compound
| Compound ID |
CP0381647
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| Compound Name |
3-[2,6-difluoro-4-(2-phenylethynyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C17H12F2O2
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| Molecular Weight |
286.277
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| Canonical SMILES |
OC(=O)CCc1c(F)cc(cc1F)C#Cc1ccccc1
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| InChI |
InChI=1S/C17H12F2O2/c18-15-10-13(7-6-12-4-2-1-3-5-12)11-16(19)14(15)8-9-17(20)21/h1-5,10-11H,8-9H2,(H,20,21)
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| InChIKey |
GCUNZQYBKOEQAC-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