Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004475
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5b
IUPAC Name8-[(3-ethynylphenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one
FormulaC24H23N5O3
Mass429.4711
Exact Mass429.1800896
Composition C (67.12%), H (5.4%), N (16.31%), O (11.18%)
Atom Count55
PI11.13
SmilesC1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1cc(ccc1)C#C
InChI1S/C24H23N5O3/c1-2-17-5-3-6-18(13-17)27-23-19-14-21-22(15-20(19)25-16-26-23)32-24(30)29(21)8-4-7-28-
9-11-31-12-10-28/h1,3,5-6,13-16H,4,7-12H2,(H,25,26,27)
InChIKeyXBUNTIFKJLRDJJ-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
Reference22818848
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 -
Drug Bank Link -
ChemSpider Link 28509898
ChEMBL Link -
 
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