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canSAR1060643
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NAMES
    SMILES
    c1ccc(CN2CCN(CCCc3ccc(C(c4ccccc4)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1
    InChI
    InChI=1S/C37H46N2/c1-3-8-30(9-4-1)28-39-20-18-38(19-21-39)17-7-10-29-13-15-35(16-14-29)36(34-11-5-2-6-12-34)37-25-31-22-32(26-37)24-33(23-31)27-37/h1-6,8-9,11-16,31-33,36H,7,10,17-28H2
    MOLECULAR FORMULA
    C37H46N2
    CROSS REFERENCES
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    canSAR1060643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.37
    AlogP 7.79
    HBond donors 0
    HBond acceptors 2
    Atoms 85
    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 canSAR1060643.