Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003084
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article12 compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(hexyloxy)-7-methoxyquinazolin-4-amine
FormulaC21H23ClFN3O2
Mass403.878
Exact Mass403.1462829
Composition C (62.45%), H (5.74%), Cl (8.78%), F (4.7%), N (10.4%), O (7.92%)
Atom Count51
PI10.35
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCCCCC
InChI1S/C21H23ClFN3O2/c1-3-4-5-6-9-28-20-11-15-18(12-19(20)27-2)24-13-25-21(15)26-14-7-8-17(23)16(22)10-1
4/h7-8,10-13H,3-6,9H2,1-2H3,(H,24,25,26)
InChIKeyDFYLUEWHTLNPPA-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference19969465
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 46229817
Drug Bank Link -
ChemSpider Link 24656332
ChEMBL Link CHEMBL608860
 
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