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canSAR558489
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
    InChI
    InChI=1S/C14H15N5O9S2/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)/p-2/b6-3-/t9-,11?,14-/m0/s1
    MOLECULAR FORMULA
    C14H13N5O9S2-2
    CROSS REFERENCES
    558489 logo

    canSAR558489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.02
    AlogP -5.00
    HBond donors 0
    HBond acceptors 14
    Atoms 43
    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 canSAR558489.