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canSAR846757
FEATURES
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NAMES
    SMILES
    C[C@@H]1CCC/C(=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1
    InChI
    InChI=1S/C16H18N4O2S/c1-11-3-2-4-13(9-11)18-19-16-17-15(10-23-16)12-5-7-14(8-6-12)20(21)22/h5-8,10-11H,2-4,9H2,1H3,(H,17,19)/b18-13-/t11-/m1/s1
    MOLECULAR FORMULA
    C16H18N4O2S
    CROSS REFERENCES
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    canSAR846757

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.12
    AlogP 4.70
    HBond donors 1
    HBond acceptors 6
    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 canSAR846757.