General Information of the Compound
| Compound ID |
CP0071093
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| Compound Name |
3-(4-(2-(5-(3,5-bis(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)ethoxy)phenyl)-2-isopropoxypropanoic acid
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| Structure |
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| Formula |
C24H22F6N2O5
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| Molecular Weight |
532.437
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| Canonical SMILES |
CC(C)OC(Cc1ccc(OCCc2noc(n2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C24H22F6N2O5/c1-13(2)36-19(22(33)34)9-14-3-5-18(6-4-14)35-8-7-20-31-21(37-32-20)15-10-16(23(25,26)27)12-17(11-15)24(28,29)30/h3-6,10-13,19H,7-9H2,1-2H3,(H,33,34)
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| InChIKey |
BJHZSSYBTHEQGF-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