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canSAR1063651
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NAMES
    SMILES
    CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
    InChI
    InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29)
    MOLECULAR FORMULA
    C21H15ClFN7
    CROSS REFERENCES
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    canSAR1063651

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.11
    AlogP 4.93
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    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 canSAR1063651.