General Information of the Compound
| Compound ID |
CP0437343
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| Compound Name |
2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methylselanyl)phenoxy)butanoic acid
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| Structure |
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| Formula |
C23H22F3NO3SSe
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| Molecular Weight |
528.454
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| Canonical SMILES |
CCC(Oc1ccc([Se]Cc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)cc1C)C(O)=O
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| InChI |
InChI=1S/C23H22F3NO3SSe/c1-4-18(22(28)29)30-19-10-9-17(11-13(19)2)32-12-20-14(3)27-21(31-20)15-5-7-16(8-6-15)23(24,25)26/h5-11,18H,4,12H2,1-3H3,(H,28,29)
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| InChIKey |
YMULMPRRAPDSFG-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