General Information of the Compound
| Compound ID |
CP0539920
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| Compound Name |
3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyridin-3-yl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C24H25NO3
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| Molecular Weight |
375.468
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| Canonical SMILES |
CC(Cc1ccc(OCc2cccc(c2)-c2c(C)cccc2C)nc1)C(O)=O
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| InChI |
InChI=1S/C24H25NO3/c1-16-6-4-7-17(2)23(16)21-9-5-8-20(13-21)15-28-22-11-10-19(14-25-22)12-18(3)24(26)27/h4-11,13-14,18H,12,15H2,1-3H3,(H,26,27)
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| InChIKey |
WXEXQEIQTNDFEU-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: PT02522, Free fatty acid receptor 1