General Information of the Compound
| Compound ID |
CP0423890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9452986, 70
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20F4N4O2
|
||||||||||||||||||
| Molecular Weight |
460.431
|
||||||||||||||||||
| Canonical SMILES |
F[C@@H]1CCN(C1)C1CN(C1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F4N4O2/c24-16-7-8-30(11-16)17-12-31(13-17)22(32)20-4-1-14-9-18(3-5-19(14)29-20)33-21-6-2-15(10-28-21)23(25,26)27/h1-6,9-10,16-17H,7-8,11-13H2/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTOFFVNUDBXLGX-MRXNPFEDSA-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: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha