Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001741
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article21 Compound
IUPAC NameN-(5-chloro-2-fluorophenyl)-7-methoxy-6-{[1-(2-methoxyethyl)piperidin-4-yl]oxy}quinazolin-4-amine
FormulaC23H26ClFN4O3
Mass460.929
Exact Mass460.1677466
Composition C (59.93%), H (5.69%), Cl (7.69%), F (4.12%), N (12.16%), O (10.41%)
Atom Count58
PI10.86
Smilesc12c(cc(c(c1)OC1CCN(CC1)CCOC)OC)ncnc2Nc1c(ccc(c1)Cl)F
InChI1S/C23H26ClFN4O3/c1-30-10-9-29-7-5-16(6-8-29)32-22-12-17-19(13-21(22)31-2)26-14-27-23(17)28-20-11-15
(24)3-4-18(20)25/h3-4,11-14,16H,5-10H2,1-2H3,(H,26,27,28)
InChIKeyCXHUEJLZRIDMGV-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
Reference16806916
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 44416595
Drug Bank Link -
ChemSpider Link 23276014
ChEMBL Link CHEMBL215559
 
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