General Information of the Compound
| Compound ID |
CP0484170
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| Compound Name |
2-[2,6-dimethyl-4-[[(2Z)-3-oxo-2-[[4-(trifluoromethylsulfanyl)phenyl]methylidene]-1-benzofuran-6-yl]oxymethyl]phenoxy]-2-methylpropanoic acid
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| Formula |
C29H25F3O6S
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| Molecular Weight |
558.574
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| Canonical SMILES |
Cc1cc(COc2ccc3C(=O)\C(Oc3c2)=C\c2ccc(SC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C29H25F3O6S/c1-16-11-19(12-17(2)26(16)38-28(3,4)27(34)35)15-36-20-7-10-22-23(14-20)37-24(25(22)33)13-18-5-8-21(9-6-18)39-29(30,31)32/h5-14H,15H2,1-4H3,(H,34,35)/b24-13-
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| InChIKey |
HEFTWAROQCHLRU-CFRMEGHHSA-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