General Information of the Compound
| Compound ID |
CP0488227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-oxo-2-[3-(pyridine-2-carbonylamino)anilino]ethyl] morpholine-4-carbodithioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O3S2
|
||||||||||||||||||
| Molecular Weight |
416.528
|
||||||||||||||||||
| Canonical SMILES |
O=C(CSC(=S)N1CCOCC1)Nc1cccc(NC(=O)c2ccccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O3S2/c24-17(13-28-19(27)23-8-10-26-11-9-23)21-14-4-3-5-15(12-14)22-18(25)16-6-1-2-7-20-16/h1-7,12H,8-11,13H2,(H,21,24)(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZAYYGBZJUORFH-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