General Information of the Compound
| Compound ID |
CP0390607
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| Compound Name |
2-((3-((2-(3-chlorophenyl)thiazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C21H19ClN2O5S
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| Molecular Weight |
446.912
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| Canonical SMILES |
COC(=O)N(CC(O)=O)Cc1cccc(OCc2csc(n2)-c2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C21H19ClN2O5S/c1-28-21(27)24(11-19(25)26)10-14-4-2-7-18(8-14)29-12-17-13-30-20(23-17)15-5-3-6-16(22)9-15/h2-9,13H,10-12H2,1H3,(H,25,26)
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| InChIKey |
WGJNIZPUDYLOBQ-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