General Information of the Compound
| Compound ID |
CP0524690
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| Compound Name |
2-fluoro-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-2-propan-2-ylphenoxy]acetic acid
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| Structure |
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| Formula |
C23H21F4NO3S2
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| Molecular Weight |
499.551
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| Canonical SMILES |
CC(C)c1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OC(F)C(O)=O
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| InChI |
InChI=1S/C23H21F4NO3S2/c1-12(2)17-10-16(8-9-18(17)31-20(24)22(29)30)32-11-19-13(3)28-21(33-19)14-4-6-15(7-5-14)23(25,26)27/h4-10,12,20H,11H2,1-3H3,(H,29,30)
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| InChIKey |
WRZALALVRQNRMV-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