General Information of the Compound
| Compound ID |
CP0503895
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| Compound Name |
2-methyl-2-[4-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-}amido)phenoxy]propanoic acid
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| Structure |
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| Formula |
C22H19F3N2O4S
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| Molecular Weight |
464.465
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| Canonical SMILES |
Cc1nc(sc1C(=O)Nc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N2O4S/c1-12-17(32-19(26-12)13-4-6-14(7-5-13)22(23,24)25)18(28)27-15-8-10-16(11-9-15)31-21(2,3)20(29)30/h4-11H,1-3H3,(H,27,28)(H,29,30)
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| InChIKey |
MXLBTPCODWDTKF-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