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canSAR1964121
FEATURES
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NAMES
    SMILES
    COc1cccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c1
    InChI
    InChI=1S/C21H16N2O6S/c1-29-12-6-4-5-11(9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
    MOLECULAR FORMULA
    C21H15N2O6S-
    CROSS REFERENCES
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    canSAR1964121

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.07
    AlogP 2.70
    HBond donors 3
    HBond acceptors 8
    Atoms 45
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1964121.