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canSAR726757
FEATURES
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NAMES
    SMILES
    CC(/C=C1\Sc2ccccc2N1CCCS(=O)(=O)[O-])=C\c1sc2ccccc2[n+]1CCCS(=O)(=O)[O-].CC[n+]1ccccc1
    InChI
    InChI=1S/C24H26N2O6S4.C7H10N/c1-18(16-23-25(12-6-14-35(27,28)29)19-8-2-4-10-21(19)33-23)17-24-26(13-7-15-36(30,31)32)20-9-3-5-11-22(20)34-24;1-2-8-6-4-3-5-7-8/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,27,28,29,30,31,32);3-7H,2H2,1H3/q;+1/p-1
    MOLECULAR FORMULA
    C31H35N3O6S4
    CROSS REFERENCES
    726757 logo

    canSAR726757

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 673.14
    AlogP 4.91
    HBond donors 0
    HBond acceptors 9
    Atoms 79
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR726757.