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canSAR655131
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NAMES
    SMILES
    CSc1nc(NCCN2CCOCC2)c2c(n1)C(=O)C(c1ccccc1)=[N+]2[O-]
    InChI
    InChI=1S/C19H21N5O3S/c1-28-19-21-14-16(18(22-19)20-7-8-23-9-11-27-12-10-23)24(26)15(17(14)25)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,20,21,22)
    MOLECULAR FORMULA
    C19H21N5O3S
    CROSS REFERENCES
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    canSAR655131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.14
    AlogP 1.77
    HBond donors 1
    HBond acceptors 8
    Atoms 49
    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 canSAR655131.