General Information of the Compound
| Compound ID |
CP0499560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-chloro-2-propyl-6-(2-pyridin-3-ylethoxy)isoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClN2O2
|
||||||||||||||||||
| Molecular Weight |
342.826
|
||||||||||||||||||
| Canonical SMILES |
CCCn1ccc2cc(OCCc3cccnc3)cc(Cl)c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClN2O2/c1-2-8-22-9-5-15-11-16(12-17(20)18(15)19(22)23)24-10-6-14-4-3-7-21-13-14/h3-5,7,9,11-13H,2,6,8,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPYGILVUMMFLLC-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