Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000315
Inhibitor ClassOxazepine
Molecule Name in Refrence Article1c compound
IUPAC NameN-(3-bromophenyl)-13,14-dimethoxy-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC19H17BrN4O3
Mass429.267
Exact Mass428.0484031
Composition C (53.16%), H (3.99%), Br (18.61%), N (13.05%), O (11.18%)
Atom Count44
PI7.96
Smilesc12c(ncnc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(c(c1)OC)OC
InChI1S/C19H17BrN4O3/c1-25-15-6-11-9-21-17-18(24-13-5-3-4-12(20)7-13)22-10-23-19(17)27-14(11)8-16(15)26-2
/h3-8,10,21H,9H2,1-2H3,(H,22,23,24)
InChIKeyQBXBZNIQLIPRLA-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
Reference16887347
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesKDR or VEGFR2 |
Pub Chem Link 11654839
Drug Bank Link -
ChemSpider Link 9829577
ChEMBL Link CHEMBL380972
 
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