General Information of the Compound
| Compound ID |
CP0400404
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| Compound Name |
2-(4-((4,5-diphenylthiazol-2-yl)methoxy)-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C25H21NO4S
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| Molecular Weight |
431.513
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| Canonical SMILES |
Cc1cc(OCc2nc(c(s2)-c2ccccc2)-c2ccccc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C25H21NO4S/c1-17-14-20(12-13-21(17)30-16-23(27)28)29-15-22-26-24(18-8-4-2-5-9-18)25(31-22)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,27,28)
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| InChIKey |
YRNQWYXSILXVHK-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