General Information of the Compound
| Compound ID |
CP0303641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14ClN3O
|
||||||||||||||||||
| Molecular Weight |
299.761
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N(C)c1nc(Cl)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14ClN3O/c1-20(11-7-9-12(21-2)10-8-11)15-13-5-3-4-6-14(13)18-16(17)19-15/h3-10H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIPVUQSDDVFBPO-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: PT00922, Epidermal growth factor receptor
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000052 | A-431 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1.2 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|