General Information of the Compound
| Compound ID |
CP0114157
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| Compound Name |
2-Isopropoxy-3-{4-[5-(4-isopropyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-propionic acid
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| Structure |
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| Formula |
C24H28N2O5
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| Molecular Weight |
424.497
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| Canonical SMILES |
CC(C)OC(Cc1ccc(OCc2noc(n2)-c2ccc(cc2)C(C)C)cc1)C(O)=O
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| InChI |
InChI=1S/C24H28N2O5/c1-15(2)18-7-9-19(10-8-18)23-25-22(26-31-23)14-29-20-11-5-17(6-12-20)13-21(24(27)28)30-16(3)4/h5-12,15-16,21H,13-14H2,1-4H3,(H,27,28)
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| InChIKey |
JTOAFJBWGZQGSU-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