General Information of the Compound
| Compound ID |
CP0544638
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| Compound Name |
4-chloro-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)benzenesulfonamide
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| Structure |
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| Formula |
C13H11BClNO4S
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| Molecular Weight |
323.566
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| Canonical SMILES |
OB1OCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
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| InChI |
InChI=1S/C13H11BClNO4S/c15-10-2-5-12(6-3-10)21(18,19)16-11-4-1-9-8-20-14(17)13(9)7-11/h1-7,16-17H,8H2
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| InChIKey |
UFTFQMVMEFJZFR-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