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canSAR1528944
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NAMES
    SMILES
    O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)C1CCCN(c2ncnc3c2nc2n3CCCCC2)C1
    InChI
    InChI=1S/C29H38FN7O/c30-24-9-7-22(8-10-24)18-35-15-11-21(12-16-35)17-31-29(38)23-5-4-13-36(19-23)27-26-28(33-20-32-27)37-14-3-1-2-6-25(37)34-26/h7-10,20-21,23H,1-6,11-19H2,(H,31,38)
    MOLECULAR FORMULA
    C29H38FN7O
    CROSS REFERENCES
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    canSAR1528944

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.31
    AlogP 3.94
    HBond donors 1
    HBond acceptors 8
    Atoms 76
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1528944.