General Information of the Compound
| Compound ID |
CP0372721
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| Compound Name |
2-[[3-(benzamidomethyl)-4-methoxyphenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C20H23NO4
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| Molecular Weight |
341.407
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| Canonical SMILES |
CCC(Cc1ccc(OC)c(CNC(=O)c2ccccc2)c1)C(O)=O
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| InChI |
InChI=1S/C20H23NO4/c1-3-15(20(23)24)11-14-9-10-18(25-2)17(12-14)13-21-19(22)16-7-5-4-6-8-16/h4-10,12,15H,3,11,13H2,1-2H3,(H,21,22)(H,23,24)
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| InChIKey |
MCTWXXVRAPHHIP-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