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canSAR1617483
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(C)Cc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C27H37N3O9S/c1-17-10-11-21-18(2)24(35-25-27(21)20(17)12-13-26(3,36-25)37-38-27)34-15-14-29(4)16-22-23(30(31)39-28-22)40(32,33)19-8-6-5-7-9-19/h5-9,17-18,20-21,24-25H,10-16H2,1-4H3/t17-,18-,20+,21+,24+,25-,26-,27-/m1/s1
    MOLECULAR FORMULA
    C27H37N3O9S
    CROSS REFERENCES
    1617483 logo

    canSAR1617483

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.23
    AlogP 2.80
    HBond donors 0
    HBond acceptors 12
    Atoms 77
    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 canSAR1617483.