Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004480
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5a
IUPAC Name8-[(3-chloro-4-fluorophenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one
FormulaC22H21ClFN5O3
Mass457.885
Exact Mass457.1316955
Composition C (57.71%), H (4.62%), Cl (7.74%), F (4.15%), N (15.29%), O (10.48%)
Atom Count53
PI11.11
SmilesC1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1cc(c(cc1)F)Cl
InChI1S/C22H21ClFN5O3/c23-16-10-14(2-3-17(16)24)27-21-15-11-19-20(12-18(15)25-13-26-21)32-22(30)29(19)5-1
-4-28-6-8-31-9-7-28/h2-3,10-13H,1,4-9H2,(H,25,26,27)
InChIKeyNVSBIEBPBPVGSV-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 28509897
ChEMBL Link -
 
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