General Information of the Compound
| Compound ID |
CP0224906
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| Compound Name |
2-((3-((2-(4-chlorophenyl)-5-methylthiazol-4-yl)methoxy)benzyl)(ptolyloxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C28H25ClN2O5S
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| Molecular Weight |
537.037
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| Canonical SMILES |
Cc1sc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H25ClN2O5S/c1-18-6-12-23(13-7-18)36-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)37-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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| InChIKey |
HPRCKBOWJYALMP-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: PT00915, Peroxisome proliferator-activated receptor gamma