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canSAR1118083
FEATURES
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NAMES
    SMILES
    CC(C)(C)C(=O)Nc1nc(Nc2cccc(Br)c2)c2c(n1)[nH]c1ccccc12
    InChI
    InChI=1S/C21H20BrN5O/c1-21(2,3)19(28)27-20-25-17(23-13-8-6-7-12(22)11-13)16-14-9-4-5-10-15(14)24-18(16)26-20/h4-11H,1-3H3,(H3,23,24,25,26,27,28)
    MOLECULAR FORMULA
    C21H20BrN5O
    CROSS REFERENCES
    1118083 logo

    canSAR1118083

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.09
    AlogP 5.60
    HBond donors 3
    HBond acceptors 6
    Atoms 48
    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 canSAR1118083.