Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004858
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article1
IUPAC NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
FormulaC16H13ClFN3O2
Mass333.745
Exact Mass333.0680326
Composition C (57.58%), H (3.93%), Cl (10.62%), F (5.69%), N (12.59%), O (9.59%)
Atom Count36
PI10.36
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC
InChI1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H
,19,20,21)
InChIKeyVOPNWXZDJKCCRE-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 | 11459659 |
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4486171
ChEMBL Link CHEMBL301018
 
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