General Information of the Compound
| Compound ID |
CP0421626
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| Compound Name |
2-[[4-(2-carboxyethyl)phenyl]methoxy]-4-fluorobenzoic acid
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| Formula |
C17H15FO5
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| Molecular Weight |
318.3
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| Canonical SMILES |
OC(=O)CCc1ccc(COc2cc(F)ccc2C(O)=O)cc1
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| InChI |
InChI=1S/C17H15FO5/c18-13-6-7-14(17(21)22)15(9-13)23-10-12-3-1-11(2-4-12)5-8-16(19)20/h1-4,6-7,9H,5,8,10H2,(H,19,20)(H,21,22)
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| InChIKey |
IUEZHFSLUMISQG-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