General Information of the Compound
| Compound ID |
CP0458613
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| Compound Name |
(3-{[3-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl)methyl}phenyl) sulfamate
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| Structure |
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| Formula |
C15H15N5O6S2
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| Molecular Weight |
425.448
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| Canonical SMILES |
NS(=O)(=O)Oc1cccc(c1)C(c1cccc(OS(N)(=O)=O)c1)n1cncn1
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| InChI |
InChI=1S/C15H15N5O6S2/c16-27(21,22)25-13-5-1-3-11(7-13)15(20-10-18-9-19-20)12-4-2-6-14(8-12)26-28(17,23)24/h1-10,15H,(H2,16,21,22)(H2,17,23,24)
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| InChIKey |
ISQXIINUBJLKNH-UHFFFAOYSA-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