General Information of the Compound
| Compound ID |
CP0234900
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| Compound Name |
ethyl 2-[[4-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
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| Structure |
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| Formula |
C22H24F3NO4
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| Molecular Weight |
423.431
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| Canonical SMILES |
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H24F3NO4/c1-3-17(21(28)29-4-2)13-15-5-9-18(10-6-15)20(27)26-14-16-7-11-19(12-8-16)30-22(23,24)25/h5-12,17H,3-4,13-14H2,1-2H3,(H,26,27)
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| InChIKey |
GVVXAWYQJHOZKA-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