General Information of the Compound
| Compound ID |
CP0550631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-chloro-6-(cyclobutyloxy)-3-pyridinyl)-2-fluoro-5-
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClFN2O5S
|
||||||||||||||||||
| Molecular Weight |
428.869
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OC2CCC2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClFN2O5S/c1-26-16-8-13(17(23)22-28(2,24)25)15(20)7-12(16)10-6-14(19)18(21-9-10)27-11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGHAHFNJROJTII-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