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canSAR1526689
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NAMES
    SMILES
    CN(CC(=O)Nc1ccccc1Br)C(=O)CCCSc1nc2ccccc2[nH]1
    InChI
    InChI=1S/C20H21BrN4O2S/c1-25(13-18(26)22-15-8-3-2-7-14(15)21)19(27)11-6-12-28-20-23-16-9-4-5-10-17(16)24-20/h2-5,7-10H,6,11-13H2,1H3,(H,22,26)(H,23,24)
    MOLECULAR FORMULA
    C20H21BrN4O2S
    CROSS REFERENCES
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    canSAR1526689

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.06
    AlogP 4.29
    HBond donors 2
    HBond acceptors 6
    Atoms 49
    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 canSAR1526689.