General Information of the Compound
| Compound ID |
CP0372664
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| Compound Name |
(E)-(2-Methyl-4-{1-[4-methyl-2-(4-trifluoromethylphenyl)-thiazol-5-ylmethoxyimino]-ethyl}-phenoxy)-acetic acid
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| Structure |
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| Formula |
C23H21F3N2O4S
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| Molecular Weight |
478.492
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| Canonical SMILES |
C\C(=N/OCc1sc(nc1C)-c1ccc(cc1)C(F)(F)F)c1ccc(OCC(O)=O)c(C)c1
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| InChI |
InChI=1S/C23H21F3N2O4S/c1-13-10-17(6-9-19(13)31-12-21(29)30)14(2)28-32-11-20-15(3)27-22(33-20)16-4-7-18(8-5-16)23(24,25)26/h4-10H,11-12H2,1-3H3,(H,29,30)/b28-14+
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| InChIKey |
ODUUUGYLEOEHRQ-CCVNUDIWSA-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