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canSAR2020248
FEATURES
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NAMES
    SMILES
    Nc1nc(O)c2ncn([C@@H]3O[C@H](CNS(=O)(=O)N4CCc5ccccc5C4)[C@@H](O)[C@H]3O)c2n1
    InChI
    InChI=1S/C19H23N7O6S/c20-19-23-16-13(17(29)24-19)21-9-26(16)18-15(28)14(27)12(32-18)7-22-33(30,31)25-6-5-10-3-1-2-4-11(10)8-25/h1-4,9,12,14-15,18,22,27-28H,5-8H2,(H3,20,23,24,29)/t12-,14-,15-,18-/m1/s1
    MOLECULAR FORMULA
    C19H23N7O6S
    CROSS REFERENCES
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    canSAR2020248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.14
    AlogP -1.37
    HBond donors 6
    HBond acceptors 13
    Atoms 56
    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 canSAR2020248.