General Information of the Compound
| Compound ID |
CP0954039
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| Compound Name |
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol ethane-1,2-disulfonate
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| Formula |
C15H20N4O7S2
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| Molecular Weight |
432.48
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| Canonical SMILES |
CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)CCS(=O)(=O)O
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| InChI |
InChI=1S/C13H14N4O.C2H6O6S2/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;3-9(4,5)1-2-10(6,7)8/h3-9,18H,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/b16-15+;
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| InChIKey |
HUSGMHUNKWJEEW-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