Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003994
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3g compound
IUPAC Name6,7-diethoxy-N-[3-(2-methyl-1,3-oxazol-5-yl)phenyl]quinazolin-4-amine
FormulaC22H22N4O3
Mass390.4351
Exact Mass390.1691906
Composition C (67.68%), H (5.68%), N (14.35%), O (12.29%)
Atom Count51
PI10.26
Smilesc12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2oc(nc2)C)ccc1
InChI1S/C22H22N4O3/c1-4-27-19-10-17-18(11-20(19)28-5-2)24-13-25-22(17)26-16-8-6-7-15(9-16)21-12-23-14(3)2
9-21/h6-13H,4-5H2,1-3H3,(H,24,25,26)
InChIKeyHCRQUXVUWLPHQQ-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
Reference12190310
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesF16BP |
Pub Chem Link 10172837
Drug Bank Link -
ChemSpider Link 8348342
ChEMBL Link CHEMBL126653
 
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