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canSAR2086493
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NAMES
    SMILES
    N#CCOc1ccc2c(c1)CCn1c-2cc(OCC2COc3ncccc3O2)nc1=O
    InChI
    InChI=1S/C22H18N4O5/c23-6-9-28-15-3-4-17-14(10-15)5-8-26-18(17)11-20(25-22(26)27)29-12-16-13-30-21-19(31-16)2-1-7-24-21/h1-4,7,10-11,16H,5,8-9,12-13H2
    MOLECULAR FORMULA
    C22H18N4O5
    CROSS REFERENCES
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    canSAR2086493

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.13
    AlogP 1.98
    HBond donors 0
    HBond acceptors 9
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2086493.