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Compound IDNVIC0102
Compound Structure
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InhibitorBosutinib
SMILESCN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
PubChem ID 5328940
Drug Bank IDDB06616
ChemSpider ID4486102
TargetCalcium/calmodulin-dependent protein kinase 2 delta
Assay Type\N
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcome\N
Molecular Weight (in g/mol)530.45
H-bond Acceptor8
H-bond Donor1
No. of Rotatable Bonds9
LogP2.57
Topological Polar Surface Area (Å)82.88
PUBMED ID28904190
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
Curator Email IDkanikatuteja@gmail.com