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canSAR1092807
FEATURES
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NAMES
    SMILES
    Oc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1O
    InChI
    InChI=1S/C16H15N3O3S/c20-12-2-1-11(7-13(12)21)16-18-17-15(22-16)9-19-5-3-10-4-6-23-14(10)8-19/h1-2,4,6-7,20-21H,3,5,8-9H2
    MOLECULAR FORMULA
    C16H15N3O3S
    CROSS REFERENCES
    1092807 logo

    canSAR1092807

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 329.08
    AlogP 2.77
    HBond donors 2
    HBond acceptors 6
    Atoms 38
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1092807.