General Information of the Compound
| Compound ID |
CP0876122
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(4'-fluorobenzyl)amino]-6,7-diethoxyquinazoline hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21ClFN3O2
|
||||||||||||||||||
| Molecular Weight |
377.847
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20FN3O2.ClH/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13;/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNGFFHNVBVXSPX-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: PT01233, Receptor tyrosine-protein kinase erbB-2