General Information of the Compound
| Compound ID |
CP0544330
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| Compound Name |
2-[4-[(Z)-[6-(cyclopropylmethoxy)-3-oxo-1-benzofuran-2-ylidene]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C25H26O6
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| Molecular Weight |
422.477
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| Canonical SMILES |
Cc1cc(\C=C2/Oc3cc(OCC4CC4)ccc3C2=O)cc(C)c1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C25H26O6/c1-14-9-17(10-15(2)23(14)31-25(3,4)24(27)28)11-21-22(26)19-8-7-18(12-20(19)30-21)29-13-16-5-6-16/h7-12,16H,5-6,13H2,1-4H3,(H,27,28)/b21-11-
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| InChIKey |
HZTRXLXFWDPPJS-NHDPSOOVSA-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