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canSAR1619941
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NAMES
    SMILES
    Cn1cc(-c2cn(-c3cccc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3N)cn2)cn1
    InChI
    InChI=1S/C22H17F3N8O/c1-31-9-13(8-29-31)15-10-32(11-28-15)17-3-2-4-18-19(17)20(22(23,24)25)30-33(18)16-6-5-12(21(27)34)7-14(16)26/h2-11H,26H2,1H3,(H2,27,34)
    MOLECULAR FORMULA
    C22H17F3N8O
    CROSS REFERENCES
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    canSAR1619941

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.15
    AlogP 3.31
    HBond donors 4
    HBond acceptors 9
    Atoms 51
    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 canSAR1619941.