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canSAR650837
FEATURES
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NAMES
    SMILES
    N[C@@H](CC(=O)O)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O
    InChI
    InChI=1S/C13H16FN3O8/c14-5-3-17(13(23)16-11(5)21)9-2-7(18)8(25-9)4-24-12(22)6(15)1-10(19)20/h3,6-9,18H,1-2,4,15H2,(H,19,20)(H,16,21,23)/t6-,7-,8+,9+/m0/s1
    MOLECULAR FORMULA
    C13H16FN3O8
    CROSS REFERENCES
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    canSAR650837

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.09
    AlogP -2.33
    HBond donors 5
    HBond acceptors 11
    Atoms 41
    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 canSAR650837.