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canSAR732683
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NAMES
    SMILES
    O=C(CCCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1-c1ccccc1
    InChI
    InChI=1S/C28H31N5O/c34-28(30-26-17-10-9-16-25(26)23-13-6-5-7-14-23)18-8-3-1-2-4-11-20-33-22-27(31-32-33)24-15-12-19-29-21-24/h5-7,9-10,12-17,19,21-22H,1-4,8,11,18,20H2,(H,30,34)
    MOLECULAR FORMULA
    C28H31N5O
    CROSS REFERENCES
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    canSAR732683

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.25
    AlogP 6.38
    HBond donors 1
    HBond acceptors 6
    Atoms 65
    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 canSAR732683.