Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004303
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article21 compound
IUPAC Name7-[(4-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-7-methoxyquinazolin-6-yl)oxy]-N-hydroxyheptanamide
FormulaC24H29FN4O4
Mass456.5099
Exact Mass456.2172836
Composition C (63.14%), H (6.4%), F (4.16%), N (12.27%), O (14.02%)
Atom Count62
PI7.13
Smilesc1(c(cc2c(c1)c(ncn2)N[C@H](c1ccc(cc1)F)C)OC)OCCCCCCC(=O)NO
InChI1S/C24H29FN4O4/c1-16(17-8-10-18(25)11-9-17)28-24-19-13-22(21(32-2)14-20(19)26-15-27-24)33-12-6-4-3-5
-7-23(30)29-31/h8-11,13-16,31H,3-7,12H2,1-2H3,(H,29,30)(H,26,27,28)/t16-/m0/s1
InChIKeyKHRPCRNETLJSDS-INIZCTEOSA-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
Reference20143778
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesHDAC |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24650015
ChEMBL Link CHEMBL598406
 
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