General Information of the Compound
| Compound ID |
CP0360928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-dodecanoyl-4-ethyl-3-oxo-1,4-benzothiazine-2-carbohydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H35N3O3S
|
||||||||||||||||||
| Molecular Weight |
433.618
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCC(=O)NNC(=O)C1Sc2ccccc2N(CC)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H35N3O3S/c1-3-5-6-7-8-9-10-11-12-17-20(27)24-25-22(28)21-23(29)26(4-2)18-15-13-14-16-19(18)30-21/h13-16,21H,3-12,17H2,1-2H3,(H,24,27)(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAPNFCQQTMYDPS-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: PT00962, Glycogen synthase kinase-3 beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 40700 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|