General Information of the Compound
| Compound ID |
CP0951405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O6S
|
||||||||||||||||||
| Molecular Weight |
382.438
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)CNC(=O)Cc1ccc2c(c1)OCO2)C1CCS(=O)(=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O6S/c1-19(13-4-6-26(22,23)7-5-13)17(21)10-18-16(20)9-12-2-3-14-15(8-12)25-11-24-14/h2-3,8,13H,4-7,9-11H2,1H3,(H,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKQVFRFFSQKMMD-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