General Information of the Compound
| Compound ID |
CP0495226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-(oxetan-3-ylsulfonyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30FNO5S
|
||||||||||||||||||
| Molecular Weight |
463.571
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)C1COC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30FNO5S/c25-21-7-22(31-13-24-8-14-3-15(9-24)5-16(4-14)10-24)19(17-1-2-17)6-20(21)23(27)26-32(28,29)18-11-30-12-18/h6-7,14-18H,1-5,8-13H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYVCJPDYCCNDLJ-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 | |||||||||||||||||||
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: PT05769, Sodium channel protein type 7 subunit alpha