canSAR742588
FEATURES
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NAMES
    SMILES
    [Cl-].c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)[s+]c(-c3ccc(N4CCOCC4)cc3)c2)cc1
    InChI
    InChI=1S/C31H31N2O2S.ClH/c1-2-4-24(5-3-1)27-22-30(25-6-10-28(11-7-25)32-14-18-34-19-15-32)36-31(23-27)26-8-12-29(13-9-26)33-16-20-35-21-17-33;/h1-13,22-23H,14-21H2;1H/q+1;/p-1
    MOLECULAR FORMULA
    C31H31ClN2O2S
    CROSS REFERENCES
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    canSAR742588
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight530.18
    AlogP3.71
    HBond donors0
    HBond acceptors4
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR742588.