General Information of the Compound
| Compound ID |
CP0396857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N4O2
|
||||||||||||||||||
| Molecular Weight |
398.466
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(c3)C#N)c3cccn-23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N4O2/c1-30-19-7-8-21-20(15-19)26-24(22-6-3-11-28(21)22)9-12-27(13-10-24)23(29)18-5-2-4-17(14-18)16-25/h2-8,11,14-15,26H,9-10,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZAQJHDDZQLINS-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha