General Information of the Compound
| Compound ID |
CP0113283
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| Compound Name |
2-(4-Benzenesulfonylamino-benzyl)-N-hydroxy-3-methyl-butyramide
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| Structure |
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| Formula |
C18H22N2O4S
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| Molecular Weight |
362.451
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| Canonical SMILES |
CC(C)C(Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)NO
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| InChI |
InChI=1S/C18H22N2O4S/c1-13(2)17(18(21)19-22)12-14-8-10-15(11-9-14)20-25(23,24)16-6-4-3-5-7-16/h3-11,13,17,20,22H,12H2,1-2H3,(H,19,21)
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| InChIKey |
YADVGYPHHXJWNW-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
Protein ID: PT00991, Histone deacetylase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 30000 nM
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