Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003986
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article2j compound
IUPAC Name6,7-diethoxy-N-{3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl}quinazolin-4-amine
FormulaC22H23N5O2S
Mass421.515
Exact Mass421.1572457
Composition C (62.69%), H (5.5%), N (16.61%), O (7.59%), S (7.61%)
Atom Count53
PI10.22
Smilesc12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc(sc2)NC)ccc1
InChI1S/C22H23N5O2S/c1-4-28-19-10-16-17(11-20(19)29-5-2)24-13-25-21(16)26-15-8-6-7-14(9-15)18-12-30-22(23
-3)27-18/h6-13H,4-5H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyHLIUJAVSRUBDBP-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 10216516
Drug Bank Link -
ChemSpider Link 8392008
ChEMBL Link CHEMBL443033
 
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