General Information of the Compound
| Compound ID |
CP0422716
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| Compound Name |
(+/-)-2-(3-fluoro-4-methoxy-5-((4-(trifluoromethyl)benzamido)methyl)benzyl)butanoic acid
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| Structure |
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| Formula |
C21H21F4NO4
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| Molecular Weight |
427.394
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| Canonical SMILES |
CCC(Cc1cc(F)c(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O
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| InChI |
InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-9-15(18(30-2)17(22)10-12)11-26-19(27)14-4-6-16(7-5-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)
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| InChIKey |
PQGSGRHMFZFYPG-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