Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004295
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article13 compound
IUPAC NameN-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-N'-hydroxyoctanediamide
FormulaC23H25ClFN5O4
Mass489.927
Exact Mass489.1579102
Composition C (56.39%), H (5.14%), Cl (7.24%), F (3.88%), N (14.29%), O (13.06%)
Atom Count59
PI6.67
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)NC(=O)CCCCCCC(=O)NO
InChI1S/C23H25ClFN5O4/c1-34-20-12-18-15(23(27-13-26-18)28-14-8-9-17(25)16(24)10-14)11-19(20)29-21(31)6-4-
2-3-5-7-22(32)30-33/h8-13,33H,2-7H2,1H3,(H,29,31)(H,30,32)(H,26,27,28)
InChIKeySNGQUXXOIHSAPK-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 24650597
ChEMBL Link CHEMBL597773
 
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