Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001073
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3a compound
IUPAC Name(7R)-N-(4-bromo-2-fluorophenyl)-7-[2-(4-methylpiperazin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine
FormulaC23H25BrFN5O2
Mass502.379
Exact Mass501.1175659
Composition C (54.99%), H (5.02%), Br (15.91%), F (3.78%), N (13.94%), O (6.37%)
Atom Count57
PI11.1
Smilesc12c(cc3c(c1)O[C@@H](CO3)CCN1CCN(CC1)C)ncnc2Nc1c(cc(cc1)Br)F
InChI1S/C23H25BrFN5O2/c1-29-6-8-30(9-7-29)5-4-16-13-31-21-12-20-17(11-22(21)32-16)23(27-14-26-20)28-19-3-
2-15(24)10-18(19)25/h2-3,10-12,14,16H,4-9,13H2,1H3,(H,26,27,28)/t16-/m1/s1
InChIKeyXLSBJBFIKZFEKU-MRXNPFEDSA-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
Reference0
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 14902286
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