General Information of the Compound
| Compound ID |
CP0550779
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| Compound Name |
2-[2,6-dimethyl-4-[(Z)-[6-(3-methylbutoxy)-3-oxo-1-benzofuran-2-ylidene]methyl]phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C26H30O6
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| Molecular Weight |
438.52
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| Canonical SMILES |
CC(C)CCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C26H30O6/c1-15(2)9-10-30-19-7-8-20-21(14-19)31-22(23(20)27)13-18-11-16(3)24(17(4)12-18)32-26(5,6)25(28)29/h7-8,11-15H,9-10H2,1-6H3,(H,28,29)/b22-13-
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| InChIKey |
UYYPOQGMTWWDEV-XKZIYDEJSA-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