General Information of the Compound
| Compound ID |
CP0561914
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| Compound Name |
2-[4-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,6-dimethylphenoxy]acetic acid
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| Structure |
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| Formula |
C21H20O6
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| Molecular Weight |
368.385
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| Canonical SMILES |
CCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc(C)c(OCC(O)=O)c(C)c1
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| InChI |
InChI=1S/C21H20O6/c1-4-25-15-5-6-16-17(10-15)27-18(20(16)24)9-14-7-12(2)21(13(3)8-14)26-11-19(22)23/h5-10H,4,11H2,1-3H3,(H,22,23)/b18-9-
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| InChIKey |
MPTAKXUXHJWPOC-NVMNQCDNSA-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