General Information of the Compound
| Compound ID |
CP0533805
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| Compound Name |
2-[4-[(Z)-(6-butoxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C25H28O6
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| Molecular Weight |
424.493
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| Canonical SMILES |
CCCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C25H28O6/c1-6-7-10-29-18-8-9-19-20(14-18)30-21(22(19)26)13-17-11-15(2)23(16(3)12-17)31-25(4,5)24(27)28/h8-9,11-14H,6-7,10H2,1-5H3,(H,27,28)/b21-13-
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| InChIKey |
SBHBYDQTIOOFNY-BKUYFWCQSA-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