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canSAR1592438
FEATURES
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NAMES
    SMILES
    N#C/C(=C(/O)COC(=O)COc1cccc(Br)c1)c1nc2ccccc2[nH]1
    InChI
    InChI=1S/C19H14BrN3O4/c20-12-4-3-5-13(8-12)26-11-18(25)27-10-17(24)14(9-21)19-22-15-6-1-2-7-16(15)23-19/h1-8,24H,10-11H2,(H,22,23)/b17-14-
    MOLECULAR FORMULA
    C19H14BrN3O4
    CROSS REFERENCES
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    canSAR1592438

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.02
    AlogP 3.74
    HBond donors 2
    HBond acceptors 7
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1592438.