General Information of the Compound
| Compound ID |
CP0484171
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| Compound Name |
2-[2,6-dimethyl-4-[[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl]oxymethyl]phenoxy]-2-methylpropanoic acid
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| Formula |
C34H30O6
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| Molecular Weight |
534.608
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| Canonical SMILES |
Cc1cc(COc2ccc3C(=O)\C(Oc3c2)=C\c2ccc(cc2)-c2ccccc2)cc(C)c1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C34H30O6/c1-21-16-24(17-22(2)32(21)40-34(3,4)33(36)37)20-38-27-14-15-28-29(19-27)39-30(31(28)35)18-23-10-12-26(13-11-23)25-8-6-5-7-9-25/h5-19H,20H2,1-4H3,(H,36,37)/b30-18-
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| InChIKey |
GXQBOOFNAQBFPW-YKQZZPSBSA-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