General Information of the Compound
| Compound ID |
CP0403180
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| Compound Name |
3-[(4-ethoxyphenoxy)methyl]benzoic acid
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| Structure |
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| Formula |
C16H16O4
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| Molecular Weight |
272.3
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| Canonical SMILES |
CCOc1ccc(OCc2cccc(c2)C(O)=O)cc1
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| InChI |
InChI=1S/C16H16O4/c1-2-19-14-6-8-15(9-7-14)20-11-12-4-3-5-13(10-12)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
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| InChIKey |
DQKJOHPFSRRCND-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06353, Mas-related G-protein coupled receptor member X4