Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004001
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article4b compound
IUPAC Name6,7-diethoxy-N-[4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
FormulaC22H21FN4O2S
Mass424.491
Exact Mass424.1369248
Composition C (62.25%), H (4.99%), F (4.48%), N (13.2%), O (7.54%), S (7.55%)
Atom Count51
PI10.38
Smilesc12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2csc(n2)C)c(cc1)F
InChI1S/C22H21FN4O2S/c1-4-28-20-9-16-18(10-21(20)29-5-2)24-12-25-22(16)27-14-6-7-17(23)15(8-14)19-11-30-1
3(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
InChIKeyNRHQPXPAVNZKEJ-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 10216557
Drug Bank Link -
ChemSpider Link 8392049
ChEMBL Link CHEMBL340714
 
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