General Information of the Compound
| Compound ID |
CP0952245
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| Compound Name |
(E)-2-cyano-3-(2-methoxy-4-(pyrrolidin-1-yl)phenyl)acrylic acid sodium
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| Structure |
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| Formula |
C15H15N2NaO3
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| Molecular Weight |
294.286
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| Canonical SMILES |
COc1cc(N2CCCC2)ccc1/C=C(\C#N)C(=O)[O-].[Na+]
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| InChI |
InChI=1S/C15H16N2O3.Na/c1-20-14-9-13(17-6-2-3-7-17)5-4-11(14)8-12(10-16)15(18)19;/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19);/q;+1/p-1/b12-8+;
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| InChIKey |
NGRRZGWWOKMXQG-MXZHIVQLSA-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