Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004459
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article5j compound
IUPAC Name4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]quinazoline-4,6-diamine
FormulaC22H19BrN4O
Mass435.316
Exact Mass434.0742239
Composition C (60.7%), H (4.4%), Br (18.36%), N (12.87%), O (3.68%)
Atom Count47
PI10.52
Smilesn1cnc(c2c1ccc(c2)NCc1ccc(cc1)OC)Nc1cc(ccc1)Br
InChI1S/C22H19BrN4O/c1-28-19-8-5-15(6-9-19)13-24-17-7-10-21-20(12-17)22(26-14-25-21)27-18-4-2-3-16(23)11-
18/h2-12,14,24H,13H2,1H3,(H,25,26,27)
InChIKeyRJXXTGDGSWPIOV-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
Reference22112541
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 57398941
Drug Bank Link -
ChemSpider Link 28430198
ChEMBL Link CHEMBL1928715
 
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