Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-(4-(6-(3-(2-methoxyacetamido)prop-1-ynyl)quinazolin-4-ylamino)-2-methylphenoxy)-N-neopentylbenzamide
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 PubChem ID
CID: 44426274
Canonical SMILES
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)c2c1
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Compound Formula C33H35N5O4
Compound Structure
Protein Name
 Protein Info 
Receptor tyrosine-protein kinase erbB-2
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase EGFR family
Uniprot ID
P04626
Gene Name
ERBB2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 140 nM
   TI
   LI
   LO
   TS