General Information of the Compound
| Compound ID |
CP0943191
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| Compound Name |
Sodium salt [2-cyano-5-(pyridin-4-ylmethoxy)-phenoxy]-o-tolyl-acetate
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| Structure |
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| Formula |
C22H17N2NaO4
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| Molecular Weight |
396.378
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| Canonical SMILES |
Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C(=O)[O-].[Na+]
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| InChI |
InChI=1S/C22H18N2O4.Na/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16;/h2-12,21H,14H2,1H3,(H,25,26);/q;+1/p-1
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| InChIKey |
VPUFPUUWPBIBOU-UHFFFAOYSA-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