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canSAR1015159
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NAMES
    SMILES
    CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4Br)ncc3c2)ccn1
    InChI
    InChI=1S/C21H16BrN5O2/c1-23-20(28)19-11-15(8-9-24-19)29-14-6-7-17-13(10-14)12-25-21(26-17)27-18-5-3-2-4-16(18)22/h2-12H,1H3,(H,23,28)(H,25,26,27)
    MOLECULAR FORMULA
    C21H16BrN5O2
    CROSS REFERENCES
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    canSAR1015159

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.05
    AlogP 4.68
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    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 canSAR1015159.