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canSAR832087
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NAMES
    SMILES
    Nc1cc(N)[n+](C/C=C/C2=C(C(=O)O)C3C(=O)[C@@H](NC(=O)/C(=N\O[C@H](C(=O)O)c4ccc(O)c(O)c4)c4csc(N)n4)[C@H]3SC2)cn1
    InChI
    InChI=1S/C28H26N8O9S2/c29-16-7-17(30)36(10-32-16)5-1-2-12-8-46-24-19(18(12)26(41)42)22(39)21(24)34-25(40)20(13-9-47-28(31)33-13)35-45-23(27(43)44)11-3-4-14(37)15(38)6-11/h1-4,6-7,9-10,19,21,23-24H,5,8H2,(H10,29,30,31,33,34,35,37,38,40,41,42,43,44)/p+1/b2-1+/t19?,21-,23+,24+/m1/s1
    MOLECULAR FORMULA
    C28H27N8O9S2+
    CROSS REFERENCES
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    canSAR832087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 683.13
    AlogP -0.03
    HBond donors 11
    HBond acceptors 17
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR832087.