General Information of the Compound
| Compound ID |
CP0280363
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]oxy]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O2
|
||||||||||||||||||
| Molecular Weight |
375.472
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(cc3)C#N)ccc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O2/c1-17-3-2-11-25(17)13-14-26-12-10-19-15-21(8-9-22(19)23(26)27)28-20-6-4-18(16-24)5-7-20/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFKJRURGYVFQQJ-QGZVFWFLSA-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