General Information of the Compound
| Compound ID |
CP0571518
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| Compound Name |
(E)-3-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C21H15F4NO2S2
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| Molecular Weight |
453.482
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| Canonical SMILES |
Cc1nc(sc1CSc1ccc(\C=C\C(O)=O)cc1)-c1ccc(c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F4NO2S2/c1-12-18(11-29-15-6-2-13(3-7-15)4-9-19(27)28)30-20(26-12)14-5-8-16(17(22)10-14)21(23,24)25/h2-10H,11H2,1H3,(H,27,28)/b9-4+
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| InChIKey |
DOSVYBIGTSYTQD-RUDMXATFSA-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