General Information of the Compound
| Compound ID |
CP0922562
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| Compound Name |
Sodium salt [5-(benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetate
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| Structure |
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| Formula |
C24H18NNaO6
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| Molecular Weight |
439.399
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| Canonical SMILES |
Cc1ccccc1C(Oc1cc(OCc2ccc3c(c2)OCO3)ccc1C#N)C(=O)[O-].[Na+]
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| InChI |
InChI=1S/C24H19NO6.Na/c1-15-4-2-3-5-19(15)23(24(26)27)31-21-11-18(8-7-17(21)12-25)28-13-16-6-9-20-22(10-16)30-14-29-20;/h2-11,23H,13-14H2,1H3,(H,26,27);/q;+1/p-1
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| InChIKey |
PXBKNOKZYOFAHA-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