Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3-(3-hydroxy-5-methylphenyl)-4-[6-(3-morpholin-4-ylpropylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
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 PubChem ID
CID: 118726570
Canonical SMILES
Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCN2CCOCC2)nc(n1)-c1cccnc1
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Compound Formula C28H30N8O2
Compound Structure
Protein Name
 Protein Info 
Proto-oncogene tyrosine-protein kinase ROS
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Sev family
Uniprot ID
P08922
Gene Name
ROS1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000310 HCC78
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 55500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 183 nM