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canSAR561684
FEATURES
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NAMES
    SMILES
    C[n+]1ccn(COCCS(C)(=O)=O)c1C(N)=O
    InChI
    InChI=1S/C9H15N3O4S/c1-11-3-4-12(9(11)8(10)13)7-16-5-6-17(2,14)15/h3-4H,5-7H2,1-2H3,(H-,10,13)/p+1
    MOLECULAR FORMULA
    C9H16N3O4S+
    CROSS REFERENCES
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    canSAR561684

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 262.09
    AlogP -1.57
    HBond donors 2
    HBond acceptors 7
    Atoms 33
    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 canSAR561684.