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canSAR34811
FEATURES
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NAMES
    SMILES
    O=C(CF)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1
    InChI
    InChI=1S/C21H23F2N5O6/c22-10-19(29)24-11-16-13-27(21(30)34-16)14-1-3-18(17(23)9-14)26-7-5-25(6-8-26)12-15-2-4-20(33-15)28(31)32/h1-4,9,16H,5-8,10-13H2,(H,24,29)/t16-/m0/s1
    MOLECULAR FORMULA
    C21H23F2N5O6
    CROSS REFERENCES
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    canSAR34811

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.16
    AlogP 2.06
    HBond donors 1
    HBond acceptors 11
    Atoms 57
    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 canSAR34811.