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canSAR670988
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NAMES
    SMILES
    COc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1ccc(C(=O)NCC#N)cc1
    InChI
    InChI=1S/C24H24N6O3/c1-32-21-16-27-24(28-19-6-8-20(9-7-19)30-12-14-33-15-13-30)29-22(21)17-2-4-18(5-3-17)23(31)26-11-10-25/h2-9,16H,11-15H2,1H3,(H,26,31)(H,27,28,29)
    MOLECULAR FORMULA
    C24H24N6O3
    CROSS REFERENCES
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    canSAR670988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.19
    AlogP 2.99
    HBond donors 2
    HBond acceptors 9
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR670988.