General Information of the Compound
| Compound ID |
CP0565874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20N4O4
|
||||||||||||||||||
| Molecular Weight |
452.47
|
||||||||||||||||||
| Canonical SMILES |
COCC#CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20N4O4/c1-33-16-4-6-25(31)29-19-9-12-22-21(17-19)23(13-15-27-22)34-20-10-7-18(8-11-20)26(32)30-24-5-2-3-14-28-24/h2-3,5,7-15,17H,16H2,1H3,(H,29,31)(H,28,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VABLTANFRWXCCO-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