General Information of the Compound
| Compound ID |
CP0409324
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| Compound Name |
2-[4-({[2-(4-aminophenyl)-4-methyl-1,3-thiazol-5-yl]formamido}methyl)phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C22H23N3O4S
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| Molecular Weight |
425.51
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(N)cc1
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| InChI |
InChI=1S/C22H23N3O4S/c1-13-18(30-20(25-13)15-6-8-16(23)9-7-15)19(26)24-12-14-4-10-17(11-5-14)29-22(2,3)21(27)28/h4-11H,12,23H2,1-3H3,(H,24,26)(H,27,28)
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| InChIKey |
DPCYQMIKQCAHLO-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