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canSAR558490
FEATURES
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NAMES
    SMILES
    Cn1nnnc1SCC(=O)OC[C@@]1(C)[C@H](C(=O)[O-])N2C(=O)/C(=C/C(=O)[O-])C2S1(=O)=O.[Na+].[Na+]
    InChI
    InChI=1S/C14H15N5O9S2.2Na/c1-14(5-28-8(22)4-29-13-15-16-17-18(13)2)9(12(24)25)19-10(23)6(3-7(20)21)11(19)30(14,26)27;;/h3,9,11H,4-5H2,1-2H3,(H,20,21)(H,24,25);;/q;2*+1/p-2/b6-3-;;/t9-,11?,14-;;/m0../s1
    MOLECULAR FORMULA
    C14H13N5Na2O9S2
    CROSS REFERENCES
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    canSAR558490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.00
    AlogP -11.00
    HBond donors 0
    HBond acceptors 14
    Atoms 45
    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 canSAR558490.