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canSAR1018757
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NAMES
    SMILES
    Nc1nc2c([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)cn(CCOc3ccc(Br)cc3)c2c(=O)[nH]1
    InChI
    InChI=1S/C19H22BrN4O9P/c20-9-1-3-10(4-2-9)31-6-5-24-7-11(13-14(24)18(27)23-19(21)22-13)17-16(26)15(25)12(33-17)8-32-34(28,29)30/h1-4,7,12,15-17,25-26H,5-6,8H2,(H2,28,29,30)(H3,21,22,23,27)/t12-,15-,16-,17+/m1/s1
    MOLECULAR FORMULA
    C19H22BrN4O9P
    CROSS REFERENCES
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    canSAR1018757

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.03
    AlogP 0.42
    HBond donors 7
    HBond acceptors 13
    Atoms 56
    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 canSAR1018757.