General Information of the Compound
| Compound ID |
CP0442419
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| Compound Name |
2-methyl-2-[4-({[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]formamido}methyl)phenoxy]propanoic acid
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| Structure |
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| Formula |
C22H21N3O6S
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| Molecular Weight |
455.492
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H21N3O6S/c1-13-18(32-20(24-13)15-6-8-16(9-7-15)25(29)30)19(26)23-12-14-4-10-17(11-5-14)31-22(2,3)21(27)28/h4-11H,12H2,1-3H3,(H,23,26)(H,27,28)
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| InChIKey |
KTDSYSXUSWADOW-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