General Information of the Compound
| Compound ID |
CP0964692
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| Compound Name |
(E)-5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol ethanesulfonate
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| Formula |
C15H20N4O4S
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| Molecular Weight |
352.416
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| Canonical SMILES |
CCS(=O)(=O)O.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1
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| InChI |
InChI=1S/C13H14N4O.C2H6O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;1-2-6(3,4)5/h3-9,18H,1-2H3;2H2,1H3,(H,3,4,5)/b16-15+;
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| InChIKey |
GNEZEOCAICLACY-GEEYTBSJSA-N
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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