General Information of the Compound
| Compound ID |
CP0455403
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]-N-ethylsulfonyl-1-methylindole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24ClN3O4S
|
||||||||||||||||||
| Molecular Weight |
449.96
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)NC(=O)c1ccc2c(cn(C)c2c1)-c1cnc(OCC(C)C)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24ClN3O4S/c1-5-30(27,28)24-20(26)14-6-7-16-17(11-25(4)19(16)9-14)15-8-18(22)21(23-10-15)29-12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMZAJXSRPAMGQD-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