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canSAR1026456
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NAMES
    SMILES
    C[C@@](CCn1ccc(-c2cccnc2)cc1=O)(C(=O)NO)S(C)(=O)=O
    InChI
    InChI=1S/C16H19N3O5S/c1-16(15(21)18-22,25(2,23)24)6-9-19-8-5-12(10-14(19)20)13-4-3-7-17-11-13/h3-5,7-8,10-11,22H,6,9H2,1-2H3,(H,18,21)/t16-/m1/s1
    MOLECULAR FORMULA
    C16H19N3O5S
    CROSS REFERENCES
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    canSAR1026456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 365.10
    AlogP 0.61
    HBond donors 2
    HBond acceptors 8
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1026456.