General Information of the Compound
| Compound ID |
CP0463593
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-oxo-2-[3-(pyridine-2-carbonylamino)anilino]ethyl] 4-ethylpiperazine-1-carbodithioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N5O2S2
|
||||||||||||||||||
| Molecular Weight |
443.598
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)C(=S)SCC(=O)Nc1cccc(NC(=O)c2ccccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N5O2S2/c1-2-25-10-12-26(13-11-25)21(29)30-15-19(27)23-16-6-5-7-17(14-16)24-20(28)18-8-3-4-9-22-18/h3-9,14H,2,10-13,15H2,1H3,(H,23,27)(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQULEZVOMNUAOM-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