General Information of the Compound
| Compound ID |
CP0555487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-(but-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18N4O3
|
||||||||||||||||||
| Molecular Weight |
422.444
|
||||||||||||||||||
| Canonical SMILES |
CC#CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18N4O3/c1-2-5-24(30)28-18-9-12-21-20(16-18)22(13-15-26-21)32-19-10-7-17(8-11-19)25(31)29-23-6-3-4-14-27-23/h3-4,6-16H,1H3,(H,28,30)(H,27,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPYXGTMLAFDSFY-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