General Information of the Compound
| Compound ID |
CP0499556
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| Compound Name |
2-fluoro-2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C21H17F4NO3S2
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| Molecular Weight |
471.497
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| Canonical SMILES |
Cc1nc(sc1CSc1ccc(OC(F)C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H17F4NO3S2/c1-11-9-15(7-8-16(11)29-18(22)20(27)28)30-10-17-12(2)26-19(31-17)13-3-5-14(6-4-13)21(23,24)25/h3-9,18H,10H2,1-2H3,(H,27,28)
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| InChIKey |
AHNGEGAQWSRCBH-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