General Information of the Compound
| Compound ID |
CP0540303
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| Compound Name |
(E)-3-[4-[methyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C22H19F3N2O2S
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| Molecular Weight |
432.467
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| Canonical SMILES |
CN(Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F)c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C22H19F3N2O2S/c1-14-19(13-27(2)18-10-3-15(4-11-18)5-12-20(28)29)30-21(26-14)16-6-8-17(9-7-16)22(23,24)25/h3-12H,13H2,1-2H3,(H,28,29)/b12-5+
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| InChIKey |
HHJIVXLBOQLAPG-LFYBBSHMSA-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