Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001188
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article16 compound
IUPAC NameN-{4-[(3-bromo-4-fluorophenyl)amino]-7-{3-[(3S)-morpholin-3-yl]propoxy}quinazolin-6-yl}prop-2-enamide
FormulaC24H25BrFN5O3
Mass530.389
Exact Mass529.1124805
Composition C (54.35%), H (4.75%), Br (15.07%), F (3.58%), N (13.2%), O (9.05%)
Atom Count59
PI10.61
SmilesBrc1c(ccc(Nc2ncnc3cc(OCCC[C@H]4COCCN4)c(NC(=O)C=C)cc23)c1)F
InChI1S/C24H25BrFN5O3/c1-2-23(32)31-21-11-17-20(12-22(21)34-8-3-4-16-13-33-9-7-27-16)28-14-29-24(17)30-15
-5-6-19(26)18(25)10-15/h2,5-6,10-12,14,16,27H,1,3-4,7-9,13H2,(H,31,32)(H,28,29,30)/t16-/m0/s1
InChIKeyIBRPEHDOAKOYHU-INIZCTEOSA-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
Reference10956451
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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