General Information of the Compound
| Compound ID |
CP0900964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-{[(4-{[3-(methyloxy)phenyl]acetyl}morpholin-2-yl)methyl]oxy}quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28Cl2N4O5
|
||||||||||||||||||
| Molecular Weight |
583.472
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CC(=O)N2CCOC(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28Cl2N4O5/c1-37-20-5-3-4-18(10-20)11-28(36)35-8-9-39-21(15-35)16-40-27-14-25-22(13-26(27)38-2)29(33-17-32-25)34-19-6-7-23(30)24(31)12-19/h3-7,10,12-14,17,21H,8-9,11,15-16H2,1-2H3,(H,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHJQGPXGMHCLDZ-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