General Information of the Compound
| Compound ID |
CP0919619
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| Compound Name |
(E)-2-cyano-3-(4-(diphenylamino)-2-methoxyphenyl)acrylate sodium
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| Structure |
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| Formula |
C23H17N2NaO3
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| Molecular Weight |
392.39
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| Canonical SMILES |
COc1cc(N(c2ccccc2)c2ccccc2)ccc1/C=C(\C#N)C(=O)[O-].[Na+]
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| InChI |
InChI=1S/C23H18N2O3.Na/c1-28-22-15-21(13-12-17(22)14-18(16-24)23(26)27)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-15H,1H3,(H,26,27);/q;+1/p-1/b18-14+;
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| InChIKey |
OZWQMXABJHRPTE-LSJACRKWSA-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