General Information of the Compound
| Compound ID |
CP0496448
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| Compound Name |
2-methyl-2-[4-[2-[4-[(4-methylphenyl)diazenyl]-2-(trifluoromethyl)phenoxy]ethyl]phenoxy]propanoic acid
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| Formula |
C26H25F3N2O4
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| Molecular Weight |
486.49
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| Canonical SMILES |
Cc1ccc(cc1)\N=N/c1ccc(OCCc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F3N2O4/c1-17-4-8-19(9-5-17)30-31-20-10-13-23(22(16-20)26(27,28)29)34-15-14-18-6-11-21(12-7-18)35-25(2,3)24(32)33/h4-13,16H,14-15H2,1-3H3,(H,32,33)/b31-30-
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| InChIKey |
PFZPYODVSDTRAU-KTMFPKCZSA-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