General Information of the Compound
| Compound ID |
CP0492987
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| Compound Name |
2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-methyl]phenylmethyl}hexanoic aci
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| Structure |
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| Formula |
C23H26F3NO4
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| Molecular Weight |
437.458
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| Canonical SMILES |
CCCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O
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| InChI |
InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-15-6-11-20(31-2)18(13-15)14-27-21(28)16-7-9-19(10-8-16)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)
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| InChIKey |
YKLQIFXBHVFFQC-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