General Information of the Compound
| Compound ID |
CP0372105
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| Compound Name |
2-[4-({[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]formamido}methyl)phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C26H30N2O4S
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| Molecular Weight |
466.603
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C26H30N2O4S/c1-16-21(33-23(28-16)18-9-11-19(12-10-18)25(2,3)4)22(29)27-15-17-7-13-20(14-8-17)32-26(5,6)24(30)31/h7-14H,15H2,1-6H3,(H,27,29)(H,30,31)
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| InChIKey |
LUDKSNOGWAPFQY-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