General Information of the Compound
| Compound ID |
CP0952130
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| Compound Name |
4-acetyl-N-(4-bromo-2-(pyridine-4-carbonyl)phenyl)benzenesulfonamide
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| Structure |
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| Formula |
C20H15BrN2O4S
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| Molecular Weight |
459.321
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| Canonical SMILES |
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1
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| InChI |
InChI=1S/C20H15BrN2O4S/c1-13(24)14-2-5-17(6-3-14)28(26,27)23-19-7-4-16(21)12-18(19)20(25)15-8-10-22-11-9-15/h2-12,23H,1H3
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| InChIKey |
ILZXQHYLZGAXNI-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