General Information of the Compound
| Compound ID |
CP0465296
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| Compound Name |
3-[6-(2-phenylethynyl)pyridin-3-yl]propanoic acid
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| Structure |
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| Formula |
C16H13NO2
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| Molecular Weight |
251.285
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| Canonical SMILES |
OC(=O)CCc1ccc(nc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C16H13NO2/c18-16(19)11-8-14-7-10-15(17-12-14)9-6-13-4-2-1-3-5-13/h1-5,7,10,12H,8,11H2,(H,18,19)
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| InChIKey |
AKRJMXPWEDZRLB-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