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canSAR1206890
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NAMES
    SMILES
    O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccncc1
    InChI
    InChI=1S/C16H11N3O3S2/c20-15-14(9-11-1-3-13(4-2-11)19(21)22)24-16(23)18(15)10-12-5-7-17-8-6-12/h1-9H,10H2/b14-9-
    MOLECULAR FORMULA
    C16H11N3O3S2
    CROSS REFERENCES
    1206890 logo

    canSAR1206890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 357.02
    AlogP 3.39
    HBond donors 0
    HBond acceptors 6
    Atoms 35
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1206890.