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canSAR840227
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)CCC(N)=O)S[C@H]12
    InChI
    InChI=1S/C13H19N3O5S/c1-6(17)9-11(19)16-10(13(20)21)7(22-12(9)16)5-15(2)4-3-8(14)18/h6,9,12,17H,3-5H2,1-2H3,(H2,14,18)(H,20,21)/t6-,9+,12-/m1/s1
    MOLECULAR FORMULA
    C13H19N3O5S
    CROSS REFERENCES
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    canSAR840227

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 329.10
    AlogP -1.00
    HBond donors 4
    HBond acceptors 8
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR840227.