General Information of the Compound
| Compound ID |
CP0526088
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| Compound Name |
3-[4-[[2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H22O3
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| Molecular Weight |
346.426
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccccc1COc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C23H22O3/c1-17-6-11-19(12-7-17)22-5-3-2-4-20(22)16-26-21-13-8-18(9-14-21)10-15-23(24)25/h2-9,11-14H,10,15-16H2,1H3,(H,24,25)
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| InChIKey |
PRAXVMOBNOHQJB-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