General Information of the Compound
| Compound ID |
CP0411693
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| Compound Name |
sodium;2-[4-[(E)-methoxyiminomethyl]phenoxy]-3-phenylpropanoate
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| Structure |
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| Formula |
C17H16NNaO4
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| Molecular Weight |
321.308
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| Canonical SMILES |
[Na+].CO\N=C\c1ccc(OC(Cc2ccccc2)C([O-])=O)cc1
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| InChI |
InChI=1S/C17H17NO4.Na/c1-21-18-12-14-7-9-15(10-8-14)22-16(17(19)20)11-13-5-3-2-4-6-13;/h2-10,12,16H,11H2,1H3,(H,19,20);/q;+1/p-1/b18-12+;
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| InChIKey |
GOHKAXAPVXIHFB-XMMWENQYSA-M
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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: PT00915, Peroxisome proliferator-activated receptor gamma