Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001507
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article9a compound
IUPAC NameN-[4-(benzyloxy)phenyl]-6-methylquinazolin-4-amine
FormulaC22H19N3O
Mass341.4058
Exact Mass341.1528122
Composition C (77.4%), H (5.61%), N (12.31%), O (4.69%)
Atom Count45
PI10.45
Smilesc12c(ccc(c1)C)ncnc2Nc1ccc(cc1)OCc1ccccc1
InChI1S/C22H19N3O/c1-16-7-12-21-20(13-16)22(24-15-23-21)25-18-8-10-19(11-9-18)26-14-17-5-3-2-4-6-17/h2-13
,15H,14H2,1H3,(H,23,24,25)
InChIKeyCWPMTRXNLMRJFY-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
Reference14684309
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 10382694
Drug Bank Link -
ChemSpider Link 8558136
ChEMBL Link CHEMBL15202
 
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