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canSAR1590667
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NAMES
    SMILES
    O=C(NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1csc(N2CCOCC2)n1
    InChI
    InChI=1S/C15H14ClN5O5S/c16-9-1-2-12(21(24)25)10(7-9)13(22)18-19-14(23)11-8-27-15(17-11)20-3-5-26-6-4-20/h1-2,7-8H,3-6H2,(H,18,22)(H,19,23)
    MOLECULAR FORMULA
    C15H14ClN5O5S
    CROSS REFERENCES
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    canSAR1590667

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.04
    AlogP 1.62
    HBond donors 2
    HBond acceptors 10
    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 canSAR1590667.