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canSAR1156428
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NAMES
    SMILES
    Cn1c(/C=C2\S/C(=N/c3nc4ccccc4s3)NC2=O)ccc1[N+](=O)[O-]
    InChI
    InChI=1S/C16H11N5O3S2/c1-20-9(6-7-13(20)21(23)24)8-12-14(22)18-16(26-12)19-15-17-10-4-2-3-5-11(10)25-15/h2-8H,1H3,(H,17,18,19,22)/b12-8-
    MOLECULAR FORMULA
    C16H11N5O3S2
    CROSS REFERENCES
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    canSAR1156428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.03
    AlogP 3.43
    HBond donors 1
    HBond acceptors 8
    Atoms 37
    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 canSAR1156428.