Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004919
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article18
IUPAC Name2-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)ethan-1-ol
FormulaC17H15ClFN3O3
Mass363.771
Exact Mass363.0785973
Composition C (56.13%), H (4.16%), Cl (9.75%), F (5.22%), N (11.55%), O (13.19%)
Atom Count40
PI9.81
SmilesCOc1c(OCCO)cc2c(Nc3cc(Cl)c(F)cc3)ncnc2c1
InChI1S/C17H15ClFN3O3/c1-24-15-8-14-11(7-16(15)25-5-4-23)17(21-9-20-14)22-10-2-3-13(19)12(18)6-10/h2-3,6-
9,23H,4-5H2,1H3,(H,20,21,22)
InChIKeyWKVBTXXRMLCXIX-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
Reference22867529
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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