Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004731
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article19
IUPAC Name4-N-(3-bromophenyl)-6-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-4,6-diamine
FormulaC24H21BrN4O2
Mass477.353
Exact Mass476.0847886
Composition C (60.39%), H (4.43%), Br (16.74%), N (11.74%), O (6.7%)
Atom Count52
PI10.52
Smilesc1c2OCCCOc2cc(c1)CNc1cc2c(cc1)ncnc2Nc1cccc(c1)Br
InChI1S/C24H21BrN4O2/c25-17-3-1-4-19(12-17)29-24-20-13-18(6-7-21(20)27-15-28-24)26-14-16-5-8-22-23(11-16)
31-10-2-9-30-22/h1,3-8,11-13,15,26H,2,9-10,14H2,(H,27,28,29)
InChIKeyGGUUHEFKRMTXOW-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
Reference22901387
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 28512126
ChEMBL Link -
 
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