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canSAR565707
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCO)OCC.[Br-]
    InChI
    InChI=1S/C25H54NO2S.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24-25(28-6-2)23-26(3,4)20-21-27;/h25,27H,5-24H2,1-4H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C25H54BrNO2S
    CROSS REFERENCES
    565707 logo

    canSAR565707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.31
    AlogP 3.68
    HBond donors 1
    HBond acceptors 3
    Atoms 84
    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 canSAR565707.