Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001230
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article1d compound
IUPAC Name(2E)-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]-7-(4-fluorobutoxy)quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
FormulaC24H25Cl2F2N5O2
Mass524.39
Exact Mass523.1353369
Composition C (54.97%), H (4.81%), Cl (13.52%), F (7.25%), N (13.36%), O (6.1%)
Atom Count60
PI10.57
Smilesc12c(cc(c(c1)NC(=O)/C=C/CN(C)C)OCCCCF)ncnc2Nc1c(cc(c(c1)Cl)Cl)F
InChI1S/C24H25Cl2F2N5O2/c1-33(2)8-5-6-23(34)31-21-10-15-19(13-22(21)35-9-4-3-7-27)29-14-30-24(15)32-20-12
-17(26)16(25)11-18(20)28/h5-6,10-14H,3-4,7-9H2,1-2H3,(H,31,34)(H,29,30,32)/b6-5+
InChIKeyIRMFPVXMXJFTJR-AATRIKPKSA-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
Reference17574425
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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