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canSAR1017953
FEATURES
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NAMES
    SMILES
    COc1cc(C2Oc3cc(-c4oc5cc(OS(=O)(=O)O)cc(O)c5c(=O)c4O)ccc3OC2CO)ccc1O
    InChI
    InChI=1S/C25H20O13S/c1-34-17-6-11(2-4-14(17)27)24-20(10-26)35-16-5-3-12(7-18(16)36-24)25-23(30)22(29)21-15(28)8-13(9-19(21)37-25)38-39(31,32)33/h2-9,20,24,26-28,30H,10H2,1H3,(H,31,32,33)
    MOLECULAR FORMULA
    C25H20O13S
    CROSS REFERENCES
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    canSAR1017953

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.06
    AlogP 2.64
    HBond donors 5
    HBond acceptors 13
    Atoms 59
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1017953.