General Information of the Compound
| Compound ID |
CP0537868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-oxo-3-[3-(pyridine-2-carbonylamino)anilino]propyl] piperidine-1-carbodithioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N4O2S2
|
||||||||||||||||||
| Molecular Weight |
428.583
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N4O2S2/c26-19(10-14-29-21(28)25-12-4-1-5-13-25)23-16-7-6-8-17(15-16)24-20(27)18-9-2-3-11-22-18/h2-3,6-9,11,15H,1,4-5,10,12-14H2,(H,23,26)(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVMJQHQQWWOXKP-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