General Information of the Compound
| Compound ID |
CP0416655
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| Compound Name |
3-[4-[(2-bromophenyl)methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C16H15BrO3
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| Molecular Weight |
335.197
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2ccccc2Br)cc1
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| InChI |
InChI=1S/C16H15BrO3/c17-15-4-2-1-3-13(15)11-20-14-8-5-12(6-9-14)7-10-16(18)19/h1-6,8-9H,7,10-11H2,(H,18,19)
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| InChIKey |
CXZKGBUZPTVWRP-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