Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000728
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article25 compound
IUPAC NameN-(3-chlorophenyl)-7-nitroquinazolin-4-amine
FormulaC14H9ClN4O2
Mass300.7
Exact Mass300.0414033
Composition C (55.92%), H (3.02%), Cl (11.79%), N (18.63%), O (10.64%)
Atom Count30
PI8.26
Smilesc12c(cc(cc1)N(=O)=O)ncnc2Nc1cccc(c1)Cl
InChI1S/C14H9ClN4O2/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19(20)21)7-13(12)16-8-17-14/h1-8H,(H,16,17,18)
InChIKeyPFCDJDCJBTXAJZ-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
Reference8568816
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328198
Drug Bank Link -
ChemSpider Link 4485363
ChEMBL Link CHEMBL93635
 
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