Brief Information of the Compound and Protein
Compound Name
3,3-dimethyl-1-[4-[2-methyl-4-[[6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenoxy]piperidin-1-yl]butan-1-one
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PubChem ID
CID: 44426277
Canonical SMILES
Cc1cc(Nc2ncnc3ccc(OCCCN4CCOCC4)cc23)ccc1OC1CCN(CC1)C(=O)CC(C)(C)C
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Compound Formula C33H45N5O4
Compound Structure
Protein Name
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 Mus musculus (Mouse)  1
1
IC50 = 34 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 75 nM
   TI
   LI
   LO
   TS