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canSAR1064132
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NAMES
    SMILES
    CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cccc(F)c1
    InChI
    InChI=1S/C22H24FN7O/c1-14(13-30(3)4)31-22-19(10-24)26-12-21(29-22)28-20-9-18(25-2)17(11-27-20)15-6-5-7-16(23)8-15/h5-9,11-12,14H,13H2,1-4H3,(H2,25,27,28,29)/t14-/m1/s1
    MOLECULAR FORMULA
    C22H24FN7O
    CROSS REFERENCES
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    canSAR1064132

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.20
    AlogP 3.66
    HBond donors 2
    HBond acceptors 8
    Atoms 55
    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 canSAR1064132.