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canSAR1829848
FEATURES
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NAMES
    SMILES
    [N-]=[N+]=Nc1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
    InChI
    InChI=1S/C17H17N9O8S/c18-13-10-14(22-17(21-13)23-25-19)26(6-20-10)16-12(29)11(28)9(34-16)5-33-35(31,32)24-15(30)7-3-1-2-4-8(7)27/h1-4,6,9,11-12,16,27-29H,5H2,(H,24,30)(H2,18,21,22)
    MOLECULAR FORMULA
    C17H17N9O8S
    CROSS REFERENCES
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    canSAR1829848

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.09
    AlogP -0.63
    HBond donors 6
    HBond acceptors 17
    Atoms 52
    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 canSAR1829848.