Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001773
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article5 compound
IUPAC Name4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile
FormulaC24H24ClFN4O3
Mass470.924
Exact Mass470.1520966
Composition C (61.21%), H (5.14%), Cl (7.53%), F (4.03%), N (11.9%), O (10.19%)
Atom Count57
PI12.09
Smilesc12c(c(C#N)cnc1cc(c(c2)OCCCN1CCOCC1)OC)Nc1cc(c(cc1)F)Cl
InChI1S/C24H24ClFN4O3/c1-31-22-13-21-18(12-23(22)33-8-2-5-30-6-9-32-10-7-30)24(16(14-27)15-28-21)29-17-3-
4-20(26)19(25)11-17/h3-4,11-13,15H,2,5-10H2,1H3,(H,28,29)
InChIKeyOPYYYPKXOUKXEH-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
Reference12270171
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 22466767
Drug Bank Link -
ChemSpider Link 13473154
ChEMBL Link CHEMBL99024
 
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