General Information of the Compound
| Compound ID |
CP0424224
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N4O4
|
||||||||||||||||||
| Molecular Weight |
416.437
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)c1ccc(Cn2c3ncccc3c(=O)n(CCc3ccccc3)c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRQSKMQSNCMRDZ-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: PT02410, Histone deacetylase 11
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2840 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|