General Information of the Compound
| Compound ID |
CP0531413
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| Compound Name |
2-[4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C22H22O6
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| Molecular Weight |
382.412
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| Canonical SMILES |
COc1ccc2C(=O)\C(Oc2c1)=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C22H22O6/c1-12-8-14(9-13(2)20(12)28-22(3,4)21(24)25)10-18-19(23)16-7-6-15(26-5)11-17(16)27-18/h6-11H,1-5H3,(H,24,25)/b18-10-
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| InChIKey |
FLXZSEHLAYANGA-ZDLGFXPLSA-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