General Information of the Compound
| Compound ID |
CP0378782
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| Compound Name |
2-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]methoxy]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C28H26N2O6
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| Molecular Weight |
486.524
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(nc(COc2ccc(OCC(O)=O)c(C)c2)n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H26N2O6/c1-18-14-23(12-13-26(18)36-17-28(31)32)35-16-27-29-24(19-4-8-21(33-2)9-5-19)15-25(30-27)20-6-10-22(34-3)11-7-20/h4-15H,16-17H2,1-3H3,(H,31,32)
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| InChIKey |
OVPIQJYMFDLHTN-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma