Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004457
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5l
IUPAC Name8-[(4-methylphenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one
FormulaC23H25N5O3
Mass419.4763
Exact Mass419.1957397
Composition C (65.85%), H (6.01%), N (16.7%), O (11.44%)
Atom Count56
PI11.46
SmilesC1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1ccc(cc1)C
InChI1S/C23H25N5O3/c1-16-3-5-17(6-4-16)26-22-18-13-20-21(14-19(18)24-15-25-22)31-23(29)28(20)8-2-7-27-9-1
1-30-12-10-27/h3-6,13-15H,2,7-12H2,1H3,(H,24,25,26)
InChIKeyZONDCYMVXIYHFJ-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
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Reported activity against other enzymesSrc |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 28519320
ChEMBL Link -
 
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