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canSAR732796
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NAMES
    SMILES
    O=C(CCCCCCCn1cc(-c2cccnc2)nn1)NCC(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C29H33N5O/c35-29(31-22-27(24-13-6-4-7-14-24)25-15-8-5-9-16-25)18-10-2-1-3-11-20-34-23-28(32-33-34)26-17-12-19-30-21-26/h4-9,12-17,19,21,23,27H,1-3,10-11,18,20,22H2,(H,31,35)
    MOLECULAR FORMULA
    C29H33N5O
    CROSS REFERENCES
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    canSAR732796

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.27
    AlogP 5.63
    HBond donors 1
    HBond acceptors 6
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR732796.