Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004297
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article15 compound
IUPAC Name7-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}sulfonyl)-N-hydroxyheptanamide
FormulaC22H24ClFN4O5S
Mass510.966
Exact Mass510.1139965
Composition C (51.71%), H (4.73%), Cl (6.94%), F (3.72%), N (10.96%), O (15.66%), S (6.28%)
Atom Count58
PI6.43
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)S(=O)(=O)CCCCCCC(=O)NO
InChI1S/C22H24ClFN4O5S/c1-33-19-12-18-15(22(26-13-25-18)27-14-7-8-17(24)16(23)10-14)11-20(19)34(31,32)9-5
-3-2-4-6-21(29)28-30/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
InChIKeyFMDQBAXOPXWFEH-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
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Reported activity against other enzymesHDAC |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24648390
ChEMBL Link CHEMBL596755
 
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