General Information of the Compound
| Compound ID |
CP0572702
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(6-Isobutoxypyridin-3-yl)-1-methyl-N-(methylsulfonyl)-1H-indole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N3O4S
|
||||||||||||||||||
| Molecular Weight |
401.488
|
||||||||||||||||||
| Canonical SMILES |
CC(C)COc1ccc(cn1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N3O4S/c1-13(2)12-27-19-8-6-15(10-21-19)17-11-23(3)18-9-14(5-7-16(17)18)20(24)22-28(4,25)26/h5-11,13H,12H2,1-4H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWNWTZBXJHEXGS-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