General Information of the Compound
| Compound ID |
CP0408849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6,7-Dimethoxy-isoquinolin-1-yl)-phenyl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N2O2
|
||||||||||||||||||
| Molecular Weight |
280.327
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ccnc(Nc3ccccc3)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N2O2/c1-20-15-10-12-8-9-18-17(14(12)11-16(15)21-2)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHJVKWRSCGCOCW-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