General Information of the Compound
| Compound ID |
CP0148039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-(Benzenesulfonyl-methyl-amino)-phenyl]-N-hydroxy-acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16N2O4S
|
||||||||||||||||||
| Molecular Weight |
332.381
|
||||||||||||||||||
| Canonical SMILES |
CN(c1ccc(\C=C\C(=O)NO)cc1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16N2O4S/c1-18(23(21,22)15-5-3-2-4-6-15)14-10-7-13(8-11-14)9-12-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b12-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IAMCGWXEUBEXCF-FMIVXFBMSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 4000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|