General Information of the Compound
| Compound ID |
CP0520738
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| Compound Name |
2-[4-[[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl]oxymethyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
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| Formula |
C28H26O6
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| Molecular Weight |
458.51
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| Canonical SMILES |
Cc1cc(COc2ccc3C(=O)\C(Oc3c2)=C\c2ccccc2)cc(C)c1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C28H26O6/c1-17-12-20(13-18(2)26(17)34-28(3,4)27(30)31)16-32-21-10-11-22-23(15-21)33-24(25(22)29)14-19-8-6-5-7-9-19/h5-15H,16H2,1-4H3,(H,30,31)/b24-14-
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| InChIKey |
XSQYRZQLCXWALM-OYKKKHCWSA-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