General Information of the Compound
| Compound ID |
CP0465560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346798, 130
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13ClN4O3S2
|
||||||||||||||||||
| Molecular Weight |
408.892
|
||||||||||||||||||
| Canonical SMILES |
Clc1cncc(c1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13ClN4O3S2/c17-11-7-12(10-18-9-11)21-4-5-24-15-8-13(1-2-14(15)21)26(22,23)20-16-19-3-6-25-16/h1-3,6-10H,4-5H2,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXQQFMOPVFWSMR-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