canSAR2063750
FEATURES
Loading...
NAMES
    SMILES
    O=C(CCC(=O)OCCOCCOc1no[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/C25H27F2N5O13S/c26-25(27)20(36)16(14-33)44-23(25)31-9-8-17(29-24(31)37)28-18(34)6-7-19(35)42-12-10-41-11-13-43-21-22(32(38)45-30-21)46(39,40)15-4-2-1-3-5-15/h1-5,8-9,16,20,23,33,36H,6-7,10-14H2,(H,28,29,34,37)/t16-,20-,23-/m1/s1
    MOLECULAR FORMULA
    C25H27F2N5O13S
    CROSS REFERENCES
    Loading...
    canSAR2063750
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight675.13
    AlogP-1.06
    HBond donors3
    HBond acceptors18
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063750.