Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001086
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3n compound
IUPAC Name(7R)-N-(3-chlorophenyl)-7-[2-(pyrrolidin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine
FormulaC22H23ClN4O2
Mass410.897
Exact Mass410.1509537
Composition C (64.31%), H (5.64%), Cl (8.63%), N (13.64%), O (7.79%)
Atom Count52
PI12.54
Smilesc12c(cc3c(c1)O[C@@H](CO3)CCN1CCCC1)ncnc2Nc1cc(ccc1)Cl
InChI1S/C22H23ClN4O2/c23-15-4-3-5-16(10-15)26-22-18-11-21-20(12-19(18)24-14-25-22)28-13-17(29-21)6-9-27-7
-1-2-8-27/h3-5,10-12,14,17H,1-2,6-9,13H2,(H,24,25,26)/t17-/m1/s1
InChIKeyJOEGNAOGRQEMGJ-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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