canSAR1631745
FEATURES
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NAMES
    SMILES
    O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+]
    InChI
    InChI=1S/C9H14N2O12P2.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-3/t4-,6-,7-,8-;;/m1../s1
    MOLECULAR FORMULA
    C9H11N2Na2O12P2-
    CROSS REFERENCES
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    canSAR1631745
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight446.96
    AlogP-10.51
    HBond donors3
    HBond acceptors14
    Atoms38
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631745.