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canSAR40048
FEATURES
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NAMES
    SMILES
    O=c1ccn([C@@H]2SC(CO)C(O)C2O)c(=O)[nH]1
    InChI
    InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4?,6?,7?,8-/m1/s1
    MOLECULAR FORMULA
    C9H12N2O5S
    CROSS REFERENCES
    40048 logo

    canSAR40048

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 260.05
    AlogP -2.14
    HBond donors 4
    HBond acceptors 7
    Atoms 29
    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 canSAR40048.