General Information of the Compound
| Compound ID |
CP0442953
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346798, 70
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14N4O3S3
|
||||||||||||||||||
| Molecular Weight |
430.536
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc2N(CCOc2c1)c1ccc2scnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14N4O3S3/c23-28(24,21-18-19-5-8-26-18)13-2-3-15-16(10-13)25-7-6-22(15)12-1-4-17-14(9-12)20-11-27-17/h1-5,8-11H,6-7H2,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKZPBSODXLSUQW-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