Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001079
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3g compound
IUPAC Name(7R)-N-(3-bromophenyl)-7-[2-(piperidin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine
FormulaC23H25BrN4O2
Mass469.374
Exact Mass468.1160887
Composition C (58.85%), H (5.37%), Br (17.02%), N (11.94%), O (6.82%)
Atom Count55
PI12.53
Smilesc12c(cc3c(c1)O[C@@H](CO3)CCN1CCCCC1)ncnc2Nc1cc(ccc1)Br
InChI1S/C23H25BrN4O2/c24-16-5-4-6-17(11-16)27-23-19-12-22-21(13-20(19)25-15-26-23)29-14-18(30-22)7-10-28-
8-2-1-3-9-28/h4-6,11-13,15,18H,1-3,7-10,14H2,(H,25,26,27)/t18-/m1/s1
InChIKeyQOMTZDSQRXRLJT-GOSISDBHSA-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 23260788
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