General Information of the Compound
| Compound ID |
CP0727010
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| Compound Name |
sodium(methyl(4-((4-sulfamoylphenyl)diazenyl)phenyl)amino)methanesulfonate
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| Formula |
C14H15N4NaO5S2
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| Molecular Weight |
406.421
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| Canonical SMILES |
CN(CS(=O)(=O)[O-])c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1.[Na+]
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| InChI |
InChI=1S/C14H16N4O5S2.Na/c1-18(10-24(19,20)21)13-6-2-11(3-7-13)16-17-12-4-8-14(9-5-12)25(15,22)23;/h2-9H,10H2,1H3,(H2,15,22,23)(H,19,20,21);/q;+1/p-1/b17-16+;
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| InChIKey |
KLIHDSZCFUNFRP-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