General Information of the Compound
| Compound ID |
CP0088920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20ClN5O2
|
||||||||||||||||||
| Molecular Weight |
409.877
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1cncc(n1)C(=O)NCc1cccnc1N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20ClN5O2/c22-17-5-3-15(4-6-17)18-13-23-14-19(26-18)21(28)25-12-16-2-1-7-24-20(16)27-8-10-29-11-9-27/h1-7,13-14H,8-12H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEGLDDATOGSCRT-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: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT03008, Sodium channel protein type 10 subunit alpha