Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003075
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7c compound
IUPAC Name4-[(3-chlorophenyl)amino]-6-(hexa-4,5-dien-1-yloxy)quinazolin-7-ol
FormulaC20H18ClN3O2
Mass367.829
Exact Mass367.1087545
Composition C (65.31%), H (4.93%), Cl (9.64%), N (11.42%), O (8.7%)
Atom Count44
PI6.55
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)O)OCCCC=C=C
InChI1S/C20H18ClN3O2/c1-2-3-4-5-9-26-19-11-16-17(12-18(19)25)22-13-23-20(16)24-15-8-6-7-14(21)10-15/h3,6-
8,10-13,25H,1,4-5,9H2,(H,22,23,24)
InChIKeyXWNHQWMHDORVBC-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
Reference19969465
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24645427
ChEMBL Link CHEMBL592215
 
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