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canSAR1594992
FEATURES
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NAMES
    SMILES
    CC(C)O[C@@H]1[C@@H](CO[PH](=O)[O-])O[C@@H](n2c[n+](C)c3c([O-])nc(N)nc32)[C@@H]1OC(C)C.[Na+]
    InChI
    InChI=1S/C17H28N5O7P.Na/c1-8(2)27-12-10(6-26-30(24)25)29-16(13(12)28-9(3)4)22-7-21(5)11-14(22)19-17(18)20-15(11)23;/h7-10,12-13,16,30H,6H2,1-5H3,(H3-,18,19,20,23,24,25);/q;+1/p-1/t10-,12-,13-,16-;/m1./s1
    MOLECULAR FORMULA
    C17H27N5NaO7P
    CROSS REFERENCES
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    canSAR1594992

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.15
    AlogP -3.83
    HBond donors 2
    HBond acceptors 12
    Atoms 58
    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 canSAR1594992.