General Information of the Compound
| Compound ID |
CP0954623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]-1,3-benzothiazole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19N3O4S2
|
||||||||||||||||||
| Molecular Weight |
381.479
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)CNC(=O)c1ccc2ncsc2c1)C1CCS(=O)(=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N3O4S2/c1-19(12-4-6-25(22,23)7-5-12)15(20)9-17-16(21)11-2-3-13-14(8-11)24-10-18-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,17,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBBLUSAOEFRCOU-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