General Information of the Compound
| Compound ID |
CP0755426
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-Methyl-1,3,4-thiadiazol-2-ylsulfinyl)-1-(4-nitrophenyl)-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H9N3O4S2
|
||||||||||||||||||
| Molecular Weight |
311.344
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc([S+]([O-])CC(=O)c2ccc([N+](=O)[O-])cc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H9N3O4S2/c1-7-12-13-11(19-7)20(18)6-10(15)8-2-4-9(5-3-8)14(16)17/h2-5H,6H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUSIAEYKXQOKOX-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