General Information of the Compound
| Compound ID |
CP0574313
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
S-[2-oxo-2-(1-phenylethylamino)ethyl] benzenecarbothioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17NO2S
|
||||||||||||||||||
| Molecular Weight |
299.395
|
||||||||||||||||||
| Canonical SMILES |
CC(NC(=O)CSC(=O)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17NO2S/c1-13(14-8-4-2-5-9-14)18-16(19)12-21-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYTPJIOIBBIUIK-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