General Information of the Compound
| Compound ID |
CP0966522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,4-dichlorophenyl)-7-({[4-(3-methylbut-2-en-1-yl)morpholin-2-yl]methyl}oxy)-6-(methyloxy)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
503.43
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC=C(C)C)CCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28Cl2N4O3/c1-16(2)6-7-31-8-9-33-18(13-31)14-34-24-12-22-19(11-23(24)32-3)25(29-15-28-22)30-17-4-5-20(26)21(27)10-17/h4-6,10-12,15,18H,7-9,13-14H2,1-3H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBHNSELTUCCXDK-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