Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000060
Inhibitor ClassBenzoxazepine
Molecule Name in Refrence Article2m compound
IUPAC NameN-(3-bromophenyl)-13-methoxy-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC20H17BrN2O2
Mass397.265
Exact Mass396.0473404
Composition C (60.47%), H (4.31%), Br (20.11%), N (7.05%), O (8.05%)
Atom Count42
PI7.97
Smilesc12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(cc1)OC
InChI1S/C20H17BrN2O2/c1-24-16-8-9-18-13(10-16)12-22-20-17(6-3-7-19(20)25-18)23-15-5-2-4-14(21)11-15/h2-11
,22-23H,12H2,1H3
InChIKeyOLAMWRSZEXAQDE-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
Reference16412636
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL383444
 
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