General Information of the Compound
| Compound ID |
CP0951404
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(dimethylsulfamoyl)phenyl]-N-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H25N3O6S2
|
||||||||||||||||||
| Molecular Weight |
443.547
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)CNC(=O)/C=C/c1cccc(S(=O)(=O)N(C)C)c1)C1CCS(=O)(=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25N3O6S2/c1-20(2)29(26,27)16-6-4-5-14(11-16)7-8-17(22)19-12-18(23)21(3)15-9-10-28(24,25)13-15/h4-8,11,15H,9-10,12-13H2,1-3H3,(H,19,22)/b8-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WZMKBCSFFAOIBA-BQYQJAHWSA-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