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canSAR1431263
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NAMES
    SMILES
    C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(c2nc(CC)cs2)[C@@H]1CO
    InChI
    InChI=1S/C19H21N3OS/c1-3-7-13-8-5-6-9-15(13)18-16(10-20)22(17(18)11-23)19-21-14(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/b7-3+/t16-,17-,18+/m1/s1
    MOLECULAR FORMULA
    C19H21N3OS
    CROSS REFERENCES
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    canSAR1431263

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 339.14
    AlogP 3.60
    HBond donors 1
    HBond acceptors 4
    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 canSAR1431263.