General Information of the Compound
| Compound ID |
CP0503416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(aminomethyl)-6-chloro-2-ethyl-4-phenylisoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17ClN2O
|
||||||||||||||||||
| Molecular Weight |
312.8
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17ClN2O/c1-2-21-16(11-20)17(12-6-4-3-5-7-12)15-10-13(19)8-9-14(15)18(21)22/h3-10H,2,11,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUISLPRFZCDNNT-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