Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004471
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5c
IUPAC Nameethyl 4-({1-[3-(morpholin-4-yl)propyl]-2-oxo-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-8-yl}amino)benzoate
FormulaC25H27N5O5
Mass477.5124
Exact Mass477.201219
Composition C (62.88%), H (5.7%), N (14.67%), O (16.75%)
Atom Count62
PI10.67
SmilesC1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1ccc(cc1)C(=O)OCC
InChI1S/C25H27N5O5/c1-2-34-24(31)17-4-6-18(7-5-17)28-23-19-14-21-22(15-20(19)26-16-27-23)35-25(32)30(21)9
-3-8-29-10-12-33-13-11-29/h4-7,14-16H,2-3,8-13H2,1H3,(H,26,27,28)
InChIKeyGVSVSAQRMKOFQW-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 enzymesSrc |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 28521752
ChEMBL Link -
 
TOP