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canSAR1616209
FEATURES
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NAMES
    SMILES
    CCOc1ccc(C(=O)CSc2nnc3ccccn23)cc1
    InChI
    InChI=1S/C16H15N3O2S/c1-2-21-13-8-6-12(7-9-13)14(20)11-22-16-18-17-15-5-3-4-10-19(15)16/h3-10H,2,11H2,1H3
    MOLECULAR FORMULA
    C16H15N3O2S
    CROSS REFERENCES
    1616209 logo

    canSAR1616209

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 313.09
    AlogP 3.10
    HBond donors 0
    HBond acceptors 5
    Atoms 37
    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 canSAR1616209.