General Information of the Compound
| Compound ID |
CP0542274
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| Compound Name |
3-[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H18O2
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| Molecular Weight |
254.329
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#CC1=CCCCC1
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| InChI |
InChI=1S/C17H18O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h4,8-11H,1-3,5,12-13H2,(H,18,19)
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| InChIKey |
WMWBNQBDGYQPEN-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