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canSAR565259
FEATURES
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NAMES
    SMILES
    CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)[O-])cc1
    InChI
    InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1
    MOLECULAR FORMULA
    C33H39O7S2-
    CROSS REFERENCES
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    canSAR565259

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.21
    AlogP 6.58
    HBond donors 2
    HBond acceptors 7
    Atoms 81
    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 canSAR565259.