General Information of the Compound
| Compound ID |
CP0962509
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-cyano-2-(4-(p-tolylthio)piperidin-1-yl)pyridin-3-yl)picolinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N5OS
|
||||||||||||||||||
| Molecular Weight |
429.549
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(SC2CCN(c3ncc(C#N)cc3NC(=O)c3ccccn3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N5OS/c1-17-5-7-19(8-6-17)31-20-9-12-29(13-10-20)23-22(14-18(15-25)16-27-23)28-24(30)21-4-2-3-11-26-21/h2-8,11,14,16,20H,9-10,12-13H2,1H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTSBNTNLGFPIDZ-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