General Information of the Compound
| Compound ID |
CP0373876
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| Compound Name |
N'-hydroxy-N-(2-methylphenyl)hexanediamide
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| Synonyms |
BDBM50314140
CHEMBL1076794
N-Hydroxy-N'-(2-methylphenyl)octanediamide
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| Structure |
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| Formula |
C13H18N2O3
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| Molecular Weight |
250.298
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| Canonical SMILES |
Cc1ccccc1NC(=O)CCCCC(=O)NO
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| InChI |
InChI=1S/C13H18N2O3/c1-10-6-2-3-7-11(10)14-12(16)8-4-5-9-13(17)15-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,14,16)(H,15,17)
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| InChIKey |
BUBGRWCYPBJWRL-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
Protein ID: PT00995, Histone deacetylase 3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000034 | Caco-2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 78500 nM
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| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
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IC50 = 83700 nM
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LO
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Clinical Information about the Compound