Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000970
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article50 compound
IUPAC NameN-(3-bromophenyl)-8-nitroquinazolin-4-amine
FormulaC14H9BrN4O2
Mass345.151
Exact Mass343.9908882
Composition C (48.72%), H (2.63%), Br (23.15%), N (16.23%), O (9.27%)
Atom Count30
PI7.96
Smilesc12c(c(ccc1)N(=O)=O)ncnc2Nc1cc(ccc1)Br
InChI1S/C14H9BrN4O2/c15-9-3-1-4-10(7-9)18-14-11-5-2-6-12(19(20)21)13(11)16-8-17-14/h1-8H,(H,16,17,18)
InChIKeyQJBJVUJYJKBCJC-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 5328047
Drug Bank Link -
ChemSpider Link 4485214
ChEMBL Link CHEMBL119242
 
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