General Information of the Compound
| Compound ID |
CP0498726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-cyanophenyl)-2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23N7O
|
||||||||||||||||||
| Molecular Weight |
473.54
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2nc(C)c(C)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23N7O/c1-17-6-4-9-25(30-17)28-23(21-10-11-24-26(13-21)32-19(3)18(2)31-24)15-35(34-28)16-27(36)33-22-8-5-7-20(12-22)14-29/h4-13,15H,16H2,1-3H3,(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQMBJSHBIFDOTG-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