General Information of the Compound
| Compound ID |
CP0544395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9452986, 181
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F6N4O2
|
||||||||||||||||||
| Molecular Weight |
484.4
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F6N4O2/c23-21(24,25)13-31-7-9-32(10-8-31)20(33)18-4-1-14-11-16(3-5-17(14)30-18)34-19-6-2-15(12-29-19)22(26,27)28/h1-6,11-12H,7-10,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJVYQCIXUQIREB-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