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canSAR1720038
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NAMES
    SMILES
    COc1cc(C)nc(N2CCCC(C(=O)Nc3ccccc3Br)C2)n1
    InChI
    InChI=1S/C18H21BrN4O2/c1-12-10-16(25-2)22-18(20-12)23-9-5-6-13(11-23)17(24)21-15-8-4-3-7-14(15)19/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,21,24)
    MOLECULAR FORMULA
    C18H21BrN4O2
    CROSS REFERENCES
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    canSAR1720038

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.08
    AlogP 3.41
    HBond donors 1
    HBond acceptors 6
    Atoms 46
    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 canSAR1720038.