Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000963
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article43 compound
IUPAC NameN-(3-bromophenyl)-5-methoxyquinazolin-4-amine
FormulaC15H12BrN3O
Mass330.179
Exact Mass329.0163747
Composition C (54.56%), H (3.66%), Br (24.2%), N (12.73%), O (4.85%)
Atom Count32
PI9.8
Smilesc12c(cccc1OC)ncnc2Nc1cc(ccc1)Br
InChI1S/C15H12BrN3O/c1-20-13-7-3-6-12-14(13)15(18-9-17-12)19-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,18,19)
InChIKeyHMMROPZSAUEXBD-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
Reference7658435
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 5328040
Drug Bank Link -
ChemSpider Link 4485207
ChEMBL Link CHEMBL119033
 
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