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canSAR2002562
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NAMES
    SMILES
    Oc1ccc(C=Nn2cc(-c3ccccc3)nc2S)cc1
    InChI
    InChI=1S/C16H13N3OS/c20-14-8-6-12(7-9-14)10-17-19-11-15(18-16(19)21)13-4-2-1-3-5-13/h1-11,20H,(H,18,21)
    MOLECULAR FORMULA
    C16H13N3OS
    CROSS REFERENCES
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    canSAR2002562

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 295.08
    AlogP 3.43
    HBond donors 1
    HBond acceptors 4
    Atoms 34
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2002562.