General Information of the Compound
| Compound ID |
CP0465977
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| Compound Name |
2-methyl-2-[4-(2-oxochromene-3-carbonyl)phenoxy]propanoic acid
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| Structure |
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| Formula |
C20H16O6
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| Molecular Weight |
352.342
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| Canonical SMILES |
CC(C)(Oc1ccc(cc1)C(=O)c1cc2ccccc2oc1=O)C(O)=O
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| InChI |
InChI=1S/C20H16O6/c1-20(2,19(23)24)26-14-9-7-12(8-10-14)17(21)15-11-13-5-3-4-6-16(13)25-18(15)22/h3-11H,1-2H3,(H,23,24)
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| InChIKey |
HQTQHGVVQYWFJR-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: PT00915, Peroxisome proliferator-activated receptor gamma