General Information of the Compound
| Compound ID |
CP0486876
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9783527, Example 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21FN4O3
|
||||||||||||||||||
| Molecular Weight |
396.422
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FN4O3/c1-21(2,3)29-20(28)25-12-11-24(19(25)27)16-9-6-10-17-14(16)13-23-26(17)18-8-5-4-7-15(18)22/h4-10,13H,11-12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGXUOYQUTHHSEZ-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