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canSAR786954
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NAMES
    SMILES
    O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1
    InChI
    InChI=1S/C18H21N3OS/c22-18(16-4-2-10-23-16)20-17-14-5-8-21(9-6-14)15(17)11-13-3-1-7-19-12-13/h1-4,7,10,12,14-15,17H,5-6,8-9,11H2,(H,20,22)/t15-,17+/m0/s1
    MOLECULAR FORMULA
    C18H21N3OS
    CROSS REFERENCES
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    canSAR786954

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.14
    AlogP 2.58
    HBond donors 1
    HBond acceptors 4
    Atoms 44
    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 canSAR786954.