General Information of the Compound
| Compound ID |
CP0429043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(2-fluoro-4-methylanilino)isoquinolin-7-yl]-N'-hydroxyoctanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27FN4O3
|
||||||||||||||||||
| Molecular Weight |
438.503
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Nc2nccc3ccc(NC(=O)CCCCCCC(=O)NO)cc23)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27FN4O3/c1-16-8-11-21(20(25)14-16)28-24-19-15-18(10-9-17(19)12-13-26-24)27-22(30)6-4-2-3-5-7-23(31)29-32/h8-15,32H,2-7H2,1H3,(H,26,28)(H,27,30)(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLJIGRZNVRDVNW-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