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canSAR1059942
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NAMES
    SMILES
    Nc1nnc(CC[S+]([O-])CCc2nnc(NC(=O)Cc3ccccc3)s2)s1
    InChI
    InChI=1S/C16H18N6O2S3/c17-15-21-19-13(25-15)6-8-27(24)9-7-14-20-22-16(26-14)18-12(23)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,17,21)(H,18,22,23)
    MOLECULAR FORMULA
    C16H18N6O2S3
    CROSS REFERENCES
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    canSAR1059942

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.07
    AlogP 1.69
    HBond donors 3
    HBond acceptors 8
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1059942.