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canSAR2019003
FEATURES
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NAMES
    SMILES
    O=C(Nn1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O)c1ccccc1
    InChI
    InChI=1S/C22H16N4O4S/c27-20(16-8-2-1-3-9-16)24-25-21(28)18-11-4-5-12-19(18)23-22(25)31-14-15-7-6-10-17(13-15)26(29)30/h1-13H,14H2,(H,24,27)
    MOLECULAR FORMULA
    C22H16N4O4S
    CROSS REFERENCES
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    canSAR2019003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.09
    AlogP 3.98
    HBond donors 1
    HBond acceptors 8
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2019003.