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canSAR171992
FEATURES
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NAMES
    SMILES
    O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1-c1ccc(Br)o1
    InChI
    InChI=1S/C13H13BrN2O6/c14-10-2-1-8(21-10)6-4-16(13(20)15-12(6)19)11-3-7(18)9(5-17)22-11/h1-2,4,7,9,11,17-18H,3,5H2,(H,15,19,20)/t7-,9-,11-/m1/s1
    MOLECULAR FORMULA
    C13H13BrN2O6
    CROSS REFERENCES
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    canSAR171992

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.00
    AlogP 0.20
    HBond donors 3
    HBond acceptors 8
    Atoms 35
    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 canSAR171992.