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canSAR562542
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCOCC(C[N+]1(C)CCC(O)CC1)OCC.[Br-]
    InChI
    InChI=1S/C29H60NO3.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32-27-29(33-5-2)26-30(3)23-21-28(31)22-24-30;/h28-29,31H,4-27H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C29H60BrNO3
    CROSS REFERENCES
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    canSAR562542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.38
    AlogP 4.27
    HBond donors 1
    HBond acceptors 4
    Atoms 94
    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 canSAR562542.