Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004008
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5d compound
IUPAC Name6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(propan-2-yl)quinazolin-4-amine
FormulaC25H28N4O2S
Mass448.58
Exact Mass448.1932969
Composition C (66.94%), H (6.29%), N (12.49%), O (7.13%), S (7.15%)
Atom Count60
PI10.65
Smilesc12c(nc(nc1cc(c(c2)OCC)OCC)C(C)C)Nc1cc(c2csc(n2)C)ccc1
InChI1S/C25H28N4O2S/c1-6-30-22-12-19-20(13-23(22)31-7-2)28-24(15(3)4)29-25(19)27-18-10-8-9-17(11-18)21-14
-32-16(5)26-21/h8-15H,6-7H2,1-5H3,(H,27,28,29)
InChIKeyQCCLOAGASFLPHC-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 10238429
Drug Bank Link -
ChemSpider Link 8413917
ChEMBL Link CHEMBL125526
 
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