General Information of the Compound
| Compound ID |
CP0397878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346798, 222
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N5O3S2
|
||||||||||||||||||
| Molecular Weight |
427.511
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc2N(Cc3c[nH]c4cccnc34)CCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N5O3S2/c25-29(26,23-19-21-6-9-28-19)14-3-4-16-17(10-14)27-8-7-24(16)12-13-11-22-15-2-1-5-20-18(13)15/h1-6,9-11,22H,7-8,12H2,(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXQPDHSUBSNERV-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