General Information of the Compound
| Compound ID |
CP0116369
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[6-(1-benzoylpiperidin-3-yl)-2-methylpyrimidin-4-yl]amino]pyridine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22N6O
|
||||||||||||||||||
| Molecular Weight |
398.47
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(Nc2cc(ccn2)C#N)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22N6O/c1-16-26-20(13-22(27-16)28-21-12-17(14-24)9-10-25-21)19-8-5-11-29(15-19)23(30)18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,19H,5,8,11,15H2,1H3,(H,25,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLBAMJMJBNCHSZ-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