General Information of the Compound
| Compound ID |
CP0558902
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| Compound Name |
2-[2,6-dimethyl-4-[[(2Z)-2-(naphthalen-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxymethyl]phenoxy]-2-methylpropanoic acid
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| Formula |
C32H28O6
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| Molecular Weight |
508.57
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| Canonical SMILES |
Cc1cc(COc2ccc3C(=O)\C(Oc3c2)=C\c2ccc3ccccc3c2)cc(C)c1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C32H28O6/c1-19-13-22(14-20(2)30(19)38-32(3,4)31(34)35)18-36-25-11-12-26-27(17-25)37-28(29(26)33)16-21-9-10-23-7-5-6-8-24(23)15-21/h5-17H,18H2,1-4H3,(H,34,35)/b28-16-
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| InChIKey |
VFKTWKFVESBYTJ-NTFVMDSBSA-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