General Information of the Compound
| Compound ID |
CP0559509
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| Compound Name |
2-[4-[[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
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| Formula |
C29H28O7
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| Molecular Weight |
488.536
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| Canonical SMILES |
COc1ccc(\C=C2/Oc3cc(OCc4cc(C)c(OC(C)(C)C(O)=O)c(C)c4)ccc3C2=O)cc1
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| InChI |
InChI=1S/C29H28O7/c1-17-12-20(13-18(2)27(17)36-29(3,4)28(31)32)16-34-22-10-11-23-24(15-22)35-25(26(23)30)14-19-6-8-21(33-5)9-7-19/h6-15H,16H2,1-5H3,(H,31,32)/b25-14-
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| InChIKey |
ODLOMFXYIDAXGX-QFEZKATASA-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