General Information of the Compound
| Compound ID |
CP0447874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(2-methylpyridin-4-yl)anilino]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N6O
|
||||||||||||||||||
| Molecular Weight |
396.454
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccn1)-c1ccc(NCC(=O)Nc2ccc(cn2)-c2cnccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N6O/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)27-15-23(30)29-22-7-4-19(13-28-22)21-14-24-10-11-26-21/h2-14,27H,15H2,1H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPKDWTFJVUOZOM-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