General Information of the Compound
| Compound ID |
CP0504309
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-hydroxy-N-(4-methoxyphenyl)hexanediamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM50314137
CHEMBL1091487
N-Hydroxy-N'-(4-methoxyphenyl)octanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H18N2O4
|
||||||||||||||||||
| Molecular Weight |
266.297
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)CCCCC(=O)NO)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYJANBGLOGFJLV-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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 = 11600 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 9900 nM
|
TI
LI
LO
TS
|
|
Clinical Information about the Compound