Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000330
Inhibitor ClassOxazepine
Molecule Name in Refrence Article2o compound
IUPAC Name7-(3-chloro-4-fluorophenoxy)-13,14-dimethoxy-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
FormulaC19H15ClFN3O4
Mass403.792
Exact Mass403.0735119
Composition C (56.52%), H (3.74%), Cl (8.78%), F (4.7%), N (10.41%), O (15.85%)
Atom Count43
PI6.68
Smilesc12c(ncnc1Oc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(c(c1)OC)OC
InChI1S/C19H15ClFN3O4/c1-25-15-5-10-8-22-17-18(27-11-3-4-13(21)12(20)6-11)23-9-24-19(17)28-14(10)7-16(15)
26-2/h3-7,9,22H,8H2,1-2H3
InChIKeyWHSZZNYAQLQHHY-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 11704109
Drug Bank Link -
ChemSpider Link 9878832
ChEMBL Link CHEMBL213173
 
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