General Information of the Compound
| Compound ID |
CP0114159
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| Compound Name |
3-(4-((5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl)methoxy)phenyl)-2-isopropoxypropanoic acid
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| Structure |
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| Formula |
C21H21BrN2O5
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| Molecular Weight |
461.312
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| Canonical SMILES |
CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(Br)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C21H21BrN2O5/c1-13(2)28-18(21(25)26)11-14-3-9-17(10-4-14)27-12-19-23-20(29-24-19)15-5-7-16(22)8-6-15/h3-10,13,18H,11-12H2,1-2H3,(H,25,26)
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| InChIKey |
MIXWSSHLXAJWQP-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