General Information of the Compound
| Compound ID |
CP0508342
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-Isobutylphenyl)-1-methyl-N-(methylsulfonyl)-1H-indole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N2O3S
|
||||||||||||||||||
| Molecular Weight |
384.501
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cc1ccc(cc1)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N2O3S/c1-14(2)11-15-5-7-16(8-6-15)19-13-23(3)20-12-17(9-10-18(19)20)21(24)22-27(4,25)26/h5-10,12-14H,11H2,1-4H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZPMXORQGHUMKF-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