Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004305
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article23 compound
IUPAC Name7-({4-[(3-chloro-4-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)-N-hydroxyheptanamide
FormulaC22H24ClFN4O4
Mass462.902
Exact Mass462.1470112
Composition C (57.08%), H (5.23%), Cl (7.66%), F (4.1%), N (12.1%), O (13.83%)
Atom Count56
PI6.74
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OCCCCCCC(=O)NO)OC
InChI1S/C22H24ClFN4O4/c1-31-19-11-15-18(12-20(19)32-9-5-3-2-4-6-21(29)28-30)25-13-26-22(15)27-14-7-8-17(2
4)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
InChIKeySOCMOTGNRXRMOH-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
Reference20143778
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesHDAC |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24649619
ChEMBL Link CHEMBL598610
 
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