General Information of the Compound
| Compound ID |
CP0450406
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| Compound Name |
2-(4-((5-(4-(Trifluoromethyl)phenyl)-4-(4-methoxyphenyl)-thiazol-2-yl)methylthio)-2-methylphenoxy)acetic Acid
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| Structure |
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| Formula |
C27H22F3NO4S2
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| Molecular Weight |
545.604
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(CSc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H22F3NO4S2/c1-16-13-21(11-12-22(16)35-14-24(32)33)36-15-23-31-25(17-5-9-20(34-2)10-6-17)26(37-23)18-3-7-19(8-4-18)27(28,29)30/h3-13H,14-15H2,1-2H3,(H,32,33)
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| InChIKey |
KLBPSSUROZAJKN-UHFFFAOYSA-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