Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004021
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6o compound
IUPAC Name6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-7-propoxyquinazolin-4-amine
FormulaC23H24N4O2S
Mass420.527
Exact Mass420.1619967
Composition C (65.69%), H (5.75%), N (13.32%), O (7.61%), S (7.62%)
Atom Count54
PI10.29
Smilesc12c(ncnc1cc(c(c2)OCC)OCCC)Nc1cc(c2csc(n2)C)ccc1
InChI1S/C23H24N4O2S/c1-4-9-29-22-12-19-18(11-21(22)28-5-2)23(25-14-24-19)27-17-8-6-7-16(10-17)20-13-30-15
(3)26-20/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,25,27)
InChIKeyOKLQGXLTHJASKY-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 10173309
Drug Bank Link -
ChemSpider Link 8348814
ChEMBL Link CHEMBL338533
 
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