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canSAR462611
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NAMES
    SMILES
    Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
    InChI
    InChI=1S/C18H20BrN7O/c19-13-2-1-3-14(10-13)24-17-16-15(22-12-23-17)11-21-18(25-16)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,20,21,25)(H,22,23,24)
    MOLECULAR FORMULA
    C18H20BrN7O
    CROSS REFERENCES
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    canSAR462611

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.09
    AlogP 2.67
    HBond donors 2
    HBond acceptors 8
    Atoms 47
    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 canSAR462611.