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canSAR1128883
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NAMES
    SMILES
    COc1cc(Nc2ncc(Cl)c(-c3cccc(C(=O)NCC#N)c3)n2)ccc1N1CCN(C)CC1
    InChI
    InChI=1S/C25H26ClN7O2/c1-32-10-12-33(13-11-32)21-7-6-19(15-22(21)35-2)30-25-29-16-20(26)23(31-25)17-4-3-5-18(14-17)24(34)28-9-8-27/h3-7,14-16H,9-13H2,1-2H3,(H,28,34)(H,29,30,31)
    MOLECULAR FORMULA
    C25H26ClN7O2
    CROSS REFERENCES
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    canSAR1128883

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.18
    AlogP 3.55
    HBond donors 2
    HBond acceptors 9
    Atoms 61
    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 canSAR1128883.