General Information of the Compound
| Compound ID |
CP0673859
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| Compound Name |
sodium(4-((3-sulfamoylphenyl)diazenyl)phenylamino)methanesulfonate
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| Formula |
C13H13N4NaO5S2
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| Molecular Weight |
392.394
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| Canonical SMILES |
NS(=O)(=O)c1cccc(/N=N/c2ccc(NCS(=O)(=O)[O-])cc2)c1.[Na+]
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| InChI |
InChI=1S/C13H14N4O5S2.Na/c14-24(21,22)13-3-1-2-12(8-13)17-16-11-6-4-10(5-7-11)15-9-23(18,19)20;/h1-8,15H,9H2,(H2,14,21,22)(H,18,19,20);/q;+1/p-1/b17-16+;
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| InChIKey |
ISSUYOHGSQTGCE-CMBBICFISA-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
Protein ID: PT00841, Carbonic anhydrase 12
Protein ID: PT01011, Carbonic anhydrase 9