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canSAR986784
FEATURES
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NAMES
    SMILES
    O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CCNCC1
    InChI
    InChI=1S/C19H20N2O7S/c22-18(21-23)19(7-9-20-10-8-19)29(24,25)15-4-1-13(2-5-15)28-14-3-6-16-17(11-14)27-12-26-16/h1-6,11,20,23H,7-10,12H2,(H,21,22)
    MOLECULAR FORMULA
    C19H20N2O7S
    CROSS REFERENCES
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    canSAR986784

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.10
    AlogP 1.61
    HBond donors 3
    HBond acceptors 9
    Atoms 49
    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 canSAR986784.