General Information of the Compound
| Compound ID |
CP0532023
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N2O2
|
||||||||||||||||||
| Molecular Weight |
292.338
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1OCC(=O)Nc1ccc2cnccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEVCERQGPZRIFE-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