General Information of the Compound
| Compound ID |
CP0548849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9051311, 41
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19F4N5O2S2
|
||||||||||||||||||
| Molecular Weight |
537.564
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn(cn1)-c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncc(F)s1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19F4N5O2S2/c1-14-11-31(13-29-14)20-9-16(23(25,26)27)5-6-19(20)18-4-2-3-15-12-32(8-7-17(15)18)36(33,34)30-22-28-10-21(24)35-22/h2-6,9-11,13H,7-8,12H2,1H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVOYXQLNULAYDH-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