Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004296
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article14 compound
IUPAC Name7-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}sulfanyl)-N-hydroxyheptanamide
FormulaC22H24ClFN4O3S
Mass478.967
Exact Mass478.1241673
Composition C (55.17%), H (5.05%), Cl (7.4%), F (3.97%), N (11.7%), O (10.02%), S (6.69%)
Atom Count56
PI6.65
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)SCCCCCCC(=O)NO
InChI1S/C22H24ClFN4O3S/c1-31-19-12-18-15(11-20(19)32-9-5-3-2-4-6-21(29)28-30)22(26-13-25-18)27-14-7-8-17(
24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
InChIKeyIXWWFHBAOSNFBD-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 24648208
ChEMBL Link CHEMBL596754
 
TOP