Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001080
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3h compound
IUPAC Name2-({2-[(7R)-4-[(3-bromophenyl)amino]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethyl}(2-hydroxyethyl)amino)ethan-1-ol
FormulaC22H25BrN4O4
Mass489.362
Exact Mass488.105918
Composition C (54%), H (5.15%), Br (16.33%), N (11.45%), O (13.08%)
Atom Count56
PI11.94
Smilesc12c(cc3c(c1)O[C@@H](CO3)CCN(CCO)CCO)ncnc2Nc1cc(ccc1)Br
InChI1S/C22H25BrN4O4/c23-15-2-1-3-16(10-15)26-22-18-11-21-20(12-19(18)24-14-25-22)30-13-17(31-21)4-5-27(6
-8-28)7-9-29/h1-3,10-12,14,17,28-29H,4-9,13H2,(H,24,25,26)/t17-/m1/s1
InChIKeyIBUTUFYOPOHGMG-QGZVFWFLSA-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
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Reported activity against other enzymesNo activity data against other kinases present in database
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