General Information of the Compound
| Compound ID |
CP0459164
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
376.869
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17ClN4O2S/c18-14-2-4-16(5-3-14)25(23,24)22-9-7-15(8-10-22)21-17-6-1-13(11-19)12-20-17/h1-6,12,15H,7-10H2,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDNMJVNHBSOWBD-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