General Information of the Compound
| Compound ID |
CP0351003
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10273214, Example 1563
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19N3OS
|
||||||||||||||||||
| Molecular Weight |
289.404
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(CSc2nc(N)cc(O)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19N3OS/c1-15(2,3)11-6-4-10(5-7-11)9-20-14-17-12(16)8-13(19)18-14/h4-8H,9H2,1-3H3,(H3,16,17,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASEDNWCJVUADNB-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha