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canSAR159625
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NAMES
    SMILES
    COc1ccc2[nH]c([S+]([O-])Cc3cc(C)ccc3N)nc2c1
    InChI
    InChI=1S/C16H17N3O2S/c1-10-3-5-13(17)11(7-10)9-22(20)16-18-14-6-4-12(21-2)8-15(14)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
    MOLECULAR FORMULA
    C16H17N3O2S
    CROSS REFERENCES
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    canSAR159625

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 315.10
    AlogP 2.77
    HBond donors 3
    HBond acceptors 5
    Atoms 39
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR159625.