General Information of the Compound
| Compound ID |
CP0342886
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| Compound Name |
2-Isopropoxy-3-{4-[5-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-propionic acid
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| Structure |
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| Formula |
C22H21F3N2O5
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| Molecular Weight |
450.413
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| Canonical SMILES |
CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C22H21F3N2O5/c1-13(2)31-18(21(28)29)11-14-3-9-17(10-4-14)30-12-19-26-20(32-27-19)15-5-7-16(8-6-15)22(23,24)25/h3-10,13,18H,11-12H2,1-2H3,(H,28,29)
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| InChIKey |
TWCAQPUTMNMHKG-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