Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000321
Inhibitor ClassOxazepine
Molecule Name in Refrence Article2f compound
IUPAC NameN-(3-chloro-2-fluorophenyl)-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
FormulaC19H16ClFN4O3
Mass402.807
Exact Mass402.0894963
Composition C (56.65%), H (4%), Cl (8.8%), F (4.72%), N (13.91%), O (11.92%)
Atom Count44
PI7.72
Smilesc12c(ncnc1Nc1c(c(ccc1)Cl)F)Oc1c(CN2)cc(c(c1)OC)OC
InChI1S/C19H16ClFN4O3/c1-26-14-6-10-8-22-17-18(25-12-5-3-4-11(20)16(12)21)23-9-24-19(17)28-13(10)7-15(14)
27-2/h3-7,9,22H,8H2,1-2H3,(H,23,24,25)
InChIKeyZLHZFUUZIUVWJO-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 -
Drug Bank Link -
ChemSpider Link 23276060
ChEMBL Link CHEMBL214868
 
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