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canSAR1523108
FEATURES
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NAMES
    SMILES
    C[N+](C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1O.[Na+]
    InChI
    InChI=1S/C13H24N4O11P2.Na/c1-17(2,3)7-26-30(23,24)28-29(21,22)25-6-8-10(18)11(19)12(27-8)16-5-4-9(14)15-13(16)20;/h4-5,8,10-12,18-19H,6-7H2,1-3H3,(H3-,14,15,20,21,22,23,24);/q;+1/p-1/t8-,10-,11-,12+;/m0./s1
    MOLECULAR FORMULA
    C13H23N4NaO11P2
    CROSS REFERENCES
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    canSAR1523108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.07
    AlogP -5.90
    HBond donors 4
    HBond acceptors 15
    Atoms 54
    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 canSAR1523108.