General Information of the Compound
| Compound ID |
CP0453236
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N2O
|
||||||||||||||||||
| Molecular Weight |
376.544
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AREQCBAQXYOCPQ-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