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canSAR161677
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NAMES
    SMILES
    O=C1CN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CCN1
    InChI
    InChI=1S/C21H17FN6O3/c22-13-5-3-12(4-6-13)10-16-26-27-21(31-16)18-19(30)17-14(2-1-7-24-17)20(25-18)28-9-8-23-15(29)11-28/h1-7,30H,8-11H2,(H,23,29)
    MOLECULAR FORMULA
    C21H17FN6O3
    CROSS REFERENCES
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    canSAR161677

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.13
    AlogP 2.05
    HBond donors 2
    HBond acceptors 9
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR161677.