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canSAR1401694
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=O)c1ncc(CCCCCS(=O)(=O)CCC[N+](C)(C)C)o1
    InChI
    InChI=1S/C22H41N2O4S/c1-5-6-7-8-11-15-21(25)22-23-19-20(28-22)14-10-9-12-17-29(26,27)18-13-16-24(2,3)4/h19H,5-18H2,1-4H3/q+1
    MOLECULAR FORMULA
    C22H41N2O4S+
    CROSS REFERENCES
    1401694 logo

    canSAR1401694

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.28
    AlogP 4.44
    HBond donors 0
    HBond acceptors 6
    Atoms 70
    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 canSAR1401694.