General Information of the Compound
| Compound ID |
CP0441708
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| Compound Name |
sodium;2-[4-[(E)-2-methylpropoxyiminomethyl]phenoxy]-3-phenylpropanoate
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| Structure |
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| Formula |
C20H22NNaO4
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| Molecular Weight |
363.389
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| Canonical SMILES |
[Na+].CC(C)CO\N=C\c1ccc(OC(Cc2ccccc2)C([O-])=O)cc1
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| InChI |
InChI=1S/C20H23NO4.Na/c1-15(2)14-24-21-13-17-8-10-18(11-9-17)25-19(20(22)23)12-16-6-4-3-5-7-16;/h3-11,13,15,19H,12,14H2,1-2H3,(H,22,23);/q;+1/p-1/b21-13+;
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| InChIKey |
DFIVHRNLFCZYEL-PGCULMPHSA-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