General Information of the Compound
| Compound ID |
CP0942717
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(Aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carbonitrile hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22ClN3O
|
||||||||||||||||||
| Molecular Weight |
367.88
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(C#N)ccc2c1=O.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O.ClH/c1-14(2)13-24-19(12-23)20(16-6-4-3-5-7-16)18-10-15(11-22)8-9-17(18)21(24)25;/h3-10,14H,12-13,23H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBXPTBVKRFHXHU-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