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canSAR463596
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@H]1O[C@@H]([S+]([O-])Cc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
    InChI
    InChI=1S/C23H28N4O12S2/c1-12(28)35-10-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)40(32)11-16-9-27(26-25-16)17-5-7-18(8-6-17)41(24,33)34/h5-9,19-23H,10-11H2,1-4H3,(H2,24,33,34)/t19-,20+,21+,22-,23+,40?/m1/s1
    MOLECULAR FORMULA
    C23H28N4O12S2
    CROSS REFERENCES
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    canSAR463596

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.11
    AlogP -0.75
    HBond donors 2
    HBond acceptors 16
    Atoms 69
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR463596.