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canSAR789684
FEATURES
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NAMES
    SMILES
    CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccncc2)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C14H20N4O4S/c1-2-9-10(19)11(20)12(21)13(22-9)17-14(23)18-16-7-8-3-5-15-6-4-8/h3-7,9-13,19-21H,2H2,1H3,(H2,17,18,23)/b16-7+/t9-,10-,11+,12-,13-/m1/s1
    MOLECULAR FORMULA
    C14H20N4O4S
    CROSS REFERENCES
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    canSAR789684

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 340.12
    AlogP -0.90
    HBond donors 5
    HBond acceptors 8
    Atoms 43
    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 canSAR789684.