General Information of the Compound
| Compound ID |
CP0381217
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| Compound Name |
2-(4-((2-(3-fluoro-4-(trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylselanyl)-2-methylphenoxy)-2-methylpropanoic acid
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| Structure |
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| Formula |
C23H21F4NO3SSe
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| Molecular Weight |
546.444
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| Canonical SMILES |
Cc1nc(sc1C[Se]c1ccc(OC(C)(C)C(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C23H21F4NO3SSe/c1-12-9-15(6-8-18(12)31-22(3,4)21(29)30)33-11-19-13(2)28-20(32-19)14-5-7-16(17(24)10-14)23(25,26)27/h5-10H,11H2,1-4H3,(H,29,30)
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| InChIKey |
LXEMIQTUYWFWFY-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