General Information of the Compound
| Compound ID |
CP0458239
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| Compound Name |
3-[4-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C28H32O5
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| Molecular Weight |
448.559
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| Canonical SMILES |
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
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| InChI |
InChI=1S/C28H32O5/c1-4-31-14-15-32-26-16-20(2)28(21(3)17-26)24-7-5-6-23(18-24)19-33-25-11-8-22(9-12-25)10-13-27(29)30/h5-9,11-12,16-18H,4,10,13-15,19H2,1-3H3,(H,29,30)
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| InChIKey |
PUPNGJYIVSCDQT-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