General Information of the Compound
| Compound ID |
CP0545413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-methylpiperazin-1-yl)-2-(6-pyridin-2-yloxyquinolin-2-yl)oxyethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N4O3
|
||||||||||||||||||
| Molecular Weight |
378.432
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C(=O)COc1ccc2cc(Oc3ccccn3)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N4O3/c1-24-10-12-25(13-11-24)21(26)15-27-20-8-5-16-14-17(6-7-18(16)23-20)28-19-4-2-3-9-22-19/h2-9,14H,10-13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CARGOCFGMJOVLC-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 | |||||||||||||||||||
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
Protein ID: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT05769, Sodium channel protein type 7 subunit alpha