General Information of the Compound
| Compound ID |
CP0519232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346798, 66
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N4O3S2
|
||||||||||||||||||
| Molecular Weight |
424.507
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc2ncccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N4O3S2/c25-29(26,23-20-22-8-11-28-20)16-4-6-18-19(13-16)27-10-9-24(18)15-3-5-17-14(12-15)2-1-7-21-17/h1-8,11-13H,9-10H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXOKFISPPHXYNG-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