General Information of the Compound
| Compound ID |
CP0902920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-cyano-2-(4-(4-cyanobenzyl)piperazin-1-yl)pyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N8O2
|
||||||||||||||||||
| Molecular Weight |
456.51
|
||||||||||||||||||
| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(C#N)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N8O2/c1-30-16-20(24(29-30)34-2)23(33)28-21-11-19(13-26)14-27-22(21)32-9-7-31(8-10-32)15-18-5-3-17(12-25)4-6-18/h3-6,11,14,16H,7-10,15H2,1-2H3,(H,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SLZLQYOSRFDLIJ-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