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canSAR1831279
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NAMES
    SMILES
    CC(=O)Nc1ccc2cc(C(=O)N[C@H]3CN4CCC3CC4)sc2c1
    InChI
    InChI=1S/C18H21N3O2S/c1-11(22)19-14-3-2-13-8-17(24-16(13)9-14)18(23)20-15-10-21-6-4-12(15)5-7-21/h2-3,8-9,12,15H,4-7,10H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1
    MOLECULAR FORMULA
    C18H21N3O2S
    CROSS REFERENCES
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    canSAR1831279

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 343.14
    AlogP 2.68
    HBond donors 2
    HBond acceptors 5
    Atoms 45
    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 canSAR1831279.