General Information of the Compound
| Compound ID |
CP0568632
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| Compound Name |
2-[2,6-dimethyl-4-[[(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl]oxymethyl]phenoxy]-2-methylpropanoic acid
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| Formula |
C31H32O6
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| Molecular Weight |
500.591
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| Canonical SMILES |
CC(C)c1ccc(\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/C31H32O6/c1-18(2)23-9-7-21(8-10-23)15-27-28(32)25-12-11-24(16-26(25)36-27)35-17-22-13-19(3)29(20(4)14-22)37-31(5,6)30(33)34/h7-16,18H,17H2,1-6H3,(H,33,34)/b27-15-
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| InChIKey |
JIFYQOYEQOFQRW-DICXZTSXSA-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