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canSAR1060137
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NAMES
    SMILES
    CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)C1CCc2c(O)cccc2C1
    InChI
    InChI=1S/C28H38N4O/c1-2-12-32(25-10-11-26-22(20-25)7-5-9-28(26)33)18-17-30-13-15-31(16-14-30)21-24-19-23-6-3-4-8-27(23)29-24/h3-9,19,25,29,33H,2,10-18,20-21H2,1H3
    MOLECULAR FORMULA
    C28H38N4O
    CROSS REFERENCES
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    canSAR1060137

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.30
    AlogP 4.26
    HBond donors 2
    HBond acceptors 5
    Atoms 71
    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 canSAR1060137.