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canSAR1975839
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NAMES
    SMILES
    C[n+]1cccc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)c1.[I-]
    InChI
    InChI=1S/C20H16N3O.HI/c1-23-10-4-6-14(12-23)18-16-9-8-13-5-2-3-7-15(13)19(16)24-20(22)17(18)11-21;/h2-10,12,18H,22H2,1H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C20H16IN3O
    CROSS REFERENCES
    1975839 logo

    canSAR1975839

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.03
    AlogP -0.11
    HBond donors 2
    HBond acceptors 4
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1975839.