Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003343
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article25g compound
IUPAC Name(2E)-N-[4-({3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
FormulaC31H29ClFN5O3
Mass574.045
Exact Mass573.1942957
Composition C (64.86%), H (5.09%), Cl (6.18%), F (3.31%), N (12.2%), O (8.36%)
Atom Count70
PI10.67
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2ccc(F)cc2)cc1)Cl
InChI1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)6-5-13-38(2)3)31(21(17-34)18-35-26)36-23-11-1
2-28(25(32)14-23)41-19-20-7-9-22(33)10-8-20/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b6-5+
InChIKeyCQJUFAUBDFYNPH-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
Reference15715478
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 11398999
Drug Bank Link -
ChemSpider Link 9573899
ChEMBL Link CHEMBL180516
 
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