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canSAR1634727
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NAMES
    SMILES
    Cc1cc(NC(=O)CON=C(N)CC(=O)Nc2ccccc2Cl)ccc1Br
    InChI
    InChI=1S/C18H18BrClN4O3/c1-11-8-12(6-7-13(11)19)22-18(26)10-27-24-16(21)9-17(25)23-15-5-3-2-4-14(15)20/h2-8H,9-10H2,1H3,(H2,21,24)(H,22,26)(H,23,25)
    MOLECULAR FORMULA
    C18H18BrClN4O3
    CROSS REFERENCES
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    canSAR1634727

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.03
    AlogP 3.67
    HBond donors 4
    HBond acceptors 7
    Atoms 45
    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 canSAR1634727.