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canSAR1265825
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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)/b2-1+/t19?,21-,23+,24+/m1/s1
    MOLECULAR FORMULA
    C28H26N8O9S2
    CROSS REFERENCES
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    canSAR1265825

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 682.13
    AlogP -1.37
    HBond donors 10
    HBond acceptors 17
    Atoms 73
    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 canSAR1265825.