canSAR2079809
FEATURES
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NAMES
    SMILES
    O=C(CCC(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
    InChI
    InChI=1S/C25H23F2N5O12S/c26-25(27)20(36)16(14-33)43-23(25)31-11-10-17(29-24(31)37)28-18(34)8-9-19(35)41-12-4-5-13-42-21-22(32(38)44-30-21)45(39,40)15-6-2-1-3-7-15/h1-3,6-7,10-11,16,20,23,33,36H,8-9,12-14H2,(H,28,29,34,37)/t16-,20-,23-/m1/s1
    MOLECULAR FORMULA
    C25H23F2N5O12S
    CROSS REFERENCES
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    canSAR2079809
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight655.10
    AlogP-1.07
    HBond donors3
    HBond acceptors17
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079809.