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canSAR1726243
FEATURES
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NAMES
    SMILES
    CC(C)=CC1C(C(=O)Nc2ccc(Br)cn2)C1(C)C
    InChI
    InChI=1S/C15H19BrN2O/c1-9(2)7-11-13(15(11,3)4)14(19)18-12-6-5-10(16)8-17-12/h5-8,11,13H,1-4H3,(H,17,18,19)
    MOLECULAR FORMULA
    C15H19BrN2O
    CROSS REFERENCES
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    canSAR1726243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 322.07
    AlogP 4.02
    HBond donors 1
    HBond acceptors 3
    Atoms 38
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1726243.