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canSAR1831551
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NAMES
    SMILES
    Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(CBr)cc1
    InChI
    InChI=1S/C20H20BrN7/c1-26-18(14-6-4-13(10-21)5-7-14)15(11-24-26)17-16-19(27(2)25-17)22-12-23-20(16)28-8-3-9-28/h4-7,11-12H,3,8-10H2,1-2H3
    MOLECULAR FORMULA
    C20H20BrN7
    CROSS REFERENCES
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    canSAR1831551

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.10
    AlogP 3.54
    HBond donors 0
    HBond acceptors 7
    Atoms 48
    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 canSAR1831551.