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canSAR2092339
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NAMES
    SMILES
    O=C(Cc1cccs1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1
    InChI
    InChI=1S/C18H21N3OS/c22-18(11-15-4-2-10-23-15)21-9-6-16-17(21)5-8-20(16)13-14-3-1-7-19-12-14/h1-4,7,10,12,16-17H,5-6,8-9,11,13H2/t16-,17+/m0/s1
    MOLECULAR FORMULA
    C18H21N3OS
    CROSS REFERENCES
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    canSAR2092339

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.14
    AlogP 2.56
    HBond donors 0
    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 canSAR2092339.