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canSAR1647890
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NAMES
    SMILES
    O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1
    InChI
    InChI=1S/C21H15N3O3S/c25-20-18-8-4-5-9-19(18)22-21(23(20)16-6-2-1-3-7-16)28-14-15-10-12-17(13-11-15)24(26)27/h1-13H,14H2
    MOLECULAR FORMULA
    C21H15N3O3S
    CROSS REFERENCES
    1647890 logo

    canSAR1647890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.08
    AlogP 4.59
    HBond donors 0
    HBond acceptors 6
    Atoms 43
    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 canSAR1647890.