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canSAR1086321
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NAMES
    SMILES
    CCOC(=O)/C(C#N)=C\Nc1ccc2ncnc(Nc3ccccc3CC)c2c1
    InChI
    InChI=1S/C22H21N5O2/c1-3-15-7-5-6-8-19(15)27-21-18-11-17(9-10-20(18)25-14-26-21)24-13-16(12-23)22(28)29-4-2/h5-11,13-14,24H,3-4H2,1-2H3,(H,25,26,27)/b16-13-
    MOLECULAR FORMULA
    C22H21N5O2
    CROSS REFERENCES
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    canSAR1086321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.17
    AlogP 4.32
    HBond donors 2
    HBond acceptors 7
    Atoms 50
    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 canSAR1086321.