Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004112
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article33 compound
IUPAC Name2-[({8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3-cyanoquinolin-6-yl}amino)methyl]pyridin-1-ium-1-olate
FormulaC22H14Cl2FN5O
Mass454.284
Exact Mass453.0559437
Composition C (58.17%), H (3.11%), Cl (15.61%), F (4.18%), N (15.42%), O (3.52%)
Atom Count45
PI10.14
Smilesc1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)Cl)NCc1cccc[n+]1[O-]
InChI1S/C22H14Cl2FN5O/c23-18-8-14(4-5-20(18)25)29-21-13(10-26)11-28-22-17(21)7-15(9-19(22)24)27-12-16-3-1
-2-6-30(16)31/h1-9,11,27H,12H2,(H,28,29)
InChIKeyORVPEVIDEJOHIY-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
Reference17715908
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesTpl12 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23289017
ChEMBL Link CHEMBL395573
 
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