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canSAR549563
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCNC(=O)OCCCOC(=O)N(Cc1cccc[n+]1CC)C(C)=O
    InChI
    InChI=1S/C33H57N3O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-34-32(38)40-27-23-28-41-33(39)36(30(3)37)29-31-24-20-22-26-35(31)5-2/h20,22,24,26H,4-19,21,23,25,27-29H2,1-3H3/p+1
    MOLECULAR FORMULA
    C33H58N3O5+
    CROSS REFERENCES
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    canSAR549563

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.44
    AlogP 7.86
    HBond donors 1
    HBond acceptors 8
    Atoms 99
    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 canSAR549563.