General Information of the Compound
| Compound ID |
CP0183101
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-Methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N4O4
|
||||||||||||||||||
| Molecular Weight |
424.501
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N4O4/c1-28-18-6-3-5-17(13-18)26-23-19-14-21(29-2)22(15-20(19)24-16-25-23)31-10-4-7-27-8-11-30-12-9-27/h3,5-6,13-16H,4,7-12H2,1-2H3,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBBBBTFBFINDRA-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
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1050 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|