General Information of the Compound
| Compound ID |
CP0153669
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| Compound Name |
3-[4-[2-[2-(cyanomethyl)phenyl]ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H15NO2
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| Molecular Weight |
289.334
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#Cc1ccccc1CC#N
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| InChI |
InChI=1S/C19H15NO2/c20-14-13-18-4-2-1-3-17(18)11-9-15-5-7-16(8-6-15)10-12-19(21)22/h1-8H,10,12-13H2,(H,21,22)
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| InChIKey |
AMKACOPNIVQTHQ-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
Cell-based Assay
Protein ID: PT04427, Free fatty acid receptor 4