General Information of the Compound
| Compound ID |
CP0395417
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| Compound Name |
2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-benzyl]-pentanoic acid
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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 |
CCCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C22H24F3NO4/c1-3-4-16(21(28)29)11-15-7-10-19(30-2)18(12-15)20(27)26-13-14-5-8-17(9-6-14)22(23,24)25/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,26,27)(H,28,29)
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| InChIKey |
NXNUJDVSVRAGCN-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