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canSAR546452
FEATURES
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NAMES
    SMILES
    NS(=O)(=O)c1nc2ccc(N3C(=O)c4cccnc4C3=O)cc2s1.O=S(=O)(O)C(F)(F)F
    InChI
    InChI=1S/C14H8N4O4S2.CHF3O3S/c15-24(21,22)14-17-9-4-3-7(6-10(9)23-14)18-12(19)8-2-1-5-16-11(8)13(18)20;2-1(3,4)8(5,6)7/h1-6H,(H2,15,21,22);(H,5,6,7)
    MOLECULAR FORMULA
    C15H9F3N4O7S3
    CROSS REFERENCES
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    canSAR546452

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.96
    AlogP 1.53
    HBond donors 3
    HBond acceptors 11
    Atoms 41
    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 canSAR546452.