General Information of the Compound
| Compound ID |
CP0436762
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| Compound Name |
2-{4-benzyloxy-3-[(4-trifluoromethylbenzoylamino)methyl]benzyl}butyric acid
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| Structure |
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| Formula |
C27H26F3NO4
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| Molecular Weight |
485.502
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| Canonical SMILES |
CCC(Cc1ccc(OCc2ccccc2)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O
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| InChI |
InChI=1S/C27H26F3NO4/c1-2-20(26(33)34)14-19-8-13-24(35-17-18-6-4-3-5-7-18)22(15-19)16-31-25(32)21-9-11-23(12-10-21)27(28,29)30/h3-13,15,20H,2,14,16-17H2,1H3,(H,31,32)(H,33,34)
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| InChIKey |
ADFJDYBYPYXLEP-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