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canSAR926429
FEATURES
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NAMES
    SMILES
    [N-]=[N+]=NCC[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)[n+](cnc32)[C@@H]2C[C@H]1[C@@H](O)[C@H]2O
    InChI
    InChI=1S/C18H26N8O12P2/c19-16-11-17-22-6-25(16)8-3-7(12(27)13(8)28)9(1-2-23-24-20)37-40(33,34)38-39(31,32)35-4-10-14(29)15(30)18(36-10)26(17)5-21-11/h5-10,12-15,18-19,27-30H,1-4H2,(H2,31,32,33,34)/p-1/t7-,8-,9+,10-,12-,13+,14-,15-,18-/m1/s1
    MOLECULAR FORMULA
    C18H25N8O12P2-
    CROSS REFERENCES
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    canSAR926429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 607.11
    AlogP -2.73
    HBond donors 6
    HBond acceptors 20
    Atoms 65
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR926429.