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canSAR560480
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NAMES
    SMILES
    CCN(CC)CCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1
    InChI
    InChI=1S/C22H23BrN4O2/c1-3-27(4-2)11-12-29-26-20-16-7-5-6-8-17(16)24-21(20)19-15-10-9-14(23)13-18(15)25-22(19)28/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,25,28)/b21-19-,26-20+
    MOLECULAR FORMULA
    C22H23BrN4O2
    CROSS REFERENCES
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    canSAR560480

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.10
    AlogP 4.30
    HBond donors 2
    HBond acceptors 6
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR560480.