General Information of the Compound
| Compound ID |
CP0372706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-morpholin-4-ylethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24ClN5O4
|
||||||||||||||||||
| Molecular Weight |
505.962
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(Nc2ncnc3cccc(OCC(=O)N4CCOCC4)c23)ccc1OCc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24ClN5O4/c27-20-14-18(7-8-22(20)35-15-19-4-1-2-9-28-19)31-26-25-21(29-17-30-26)5-3-6-23(25)36-16-24(33)32-10-12-34-13-11-32/h1-9,14,17H,10-13,15-16H2,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIDKWOQWPGRLIW-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