Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000955
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article35 compound
IUPAC NameN-benzyl-8-nitroquinazolin-4-amine
FormulaC15H12N4O2
Mass280.2814
Exact Mass280.0960256
Composition C (64.28%), H (4.32%), N (19.99%), O (11.42%)
Atom Count33
PI9.7
Smilesc12c(c(ccc1)N(=O)=O)ncnc2NCc1ccccc1
InChI1S/C15H12N4O2/c20-19(21)13-8-4-7-12-14(13)17-10-18-15(12)16-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,
18)
InChIKeyYPNFBKKXWWCFEI-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 5328033
Drug Bank Link -
ChemSpider Link 4485200
ChEMBL Link CHEMBL117696
 
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