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canSAR1637931
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NAMES
    SMILES
    Cc1ccc(Sc2cc(NCCCO)c([N+](=O)[O-])c3nonc23)cc1
    InChI
    InChI=1S/C16H16N4O4S/c1-10-3-5-11(6-4-10)25-13-9-12(17-7-2-8-21)16(20(22)23)15-14(13)18-24-19-15/h3-6,9,17,21H,2,7-8H2,1H3
    MOLECULAR FORMULA
    C16H16N4O4S
    CROSS REFERENCES
    1637931 logo

    canSAR1637931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 360.09
    AlogP 3.38
    HBond donors 2
    HBond acceptors 8
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1637931.