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canSAR561099
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)CCCCC[n+]2ccsc2)C1
    InChI
    InChI=1S/C31H55N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-32-38-31(35)24-28-23-29(36-25-28)26-37-30(34)18-15-14-17-20-33-21-22-39-27-33/h21-22,27-29,32H,2-20,23-26H2,1H3/q+1
    MOLECULAR FORMULA
    C31H55N2O5S+
    CROSS REFERENCES
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    canSAR561099

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.38
    AlogP 7.07
    HBond donors 1
    HBond acceptors 7
    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 canSAR561099.