Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000075
Inhibitor ClassBenzoxazepine
Molecule Name in Refrence Article2ab compound
IUPAC NameN-{7-[(3-chloro-4-fluorophenyl)amino]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methanesulfonamide
FormulaC20H17ClFN3O3S
Mass433.884
Exact Mass433.066318
Composition C (55.36%), H (3.95%), Cl (8.17%), F (4.38%), N (9.68%), O (11.06%), S (7.39%)
Atom Count46
PI6.42
Smilesc12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)NS(=O)(=O)C
InChI1S/C20H17ClFN3O3S/c1-29(26,27)25-14-6-8-18-12(9-14)11-23-20-17(3-2-4-19(20)28-18)24-13-5-7-16(22)15(
21)10-13/h2-10,23-25H,11H2,1H3
InChIKeyIZWNMJVVQJLOBU-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 CHEMBL202650
 
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