General Information of the Compound
| Compound ID |
CP0938779
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(4-(2-chloro-5-methylphenoxy)piperidin-1-yl)-5-cyanopyridin-3-yl)picolinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22ClN5O2
|
||||||||||||||||||
| Molecular Weight |
447.926
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cl)c(OC2CCN(c3ncc(C#N)cc3NC(=O)c3ccccn3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22ClN5O2/c1-16-5-6-19(25)22(12-16)32-18-7-10-30(11-8-18)23-21(13-17(14-26)15-28-23)29-24(31)20-4-2-3-9-27-20/h2-6,9,12-13,15,18H,7-8,10-11H2,1H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCUFRWMDPLYPHD-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