Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003476
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15 compound
IUPAC NameN-(3-bromophenyl)-6-[(2E)-3-(2-methoxyethyl)triaz-2-en-1-yl]quinazolin-4-amine
FormulaC17H17BrN6O
Mass401.26
Exact Mass400.0647218
Composition C (50.89%), H (4.27%), Br (19.91%), N (20.94%), O (3.99%)
Atom Count42
PI10.19
Smilesc1(c2c(ncn1)ccc(N/N=N/CCOC)c2)Nc1cc(Br)ccc1
InChI1S/C17H17BrN6O/c1-25-8-7-21-24-23-14-5-6-16-15(10-14)17(20-11-19-16)22-13-4-2-3-12(18)9-13/h2-6,9-11
H,7-8H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyBXSIIPHCRZNAEI-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
Reference13678409
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 10222656
Drug Bank Link -
ChemSpider Link 8398148
ChEMBL Link CHEMBL136674
 
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