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canSAR990512
FEATURES
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NAMES
    SMILES
    O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2ccc(Br)c(-c3cccc(F)c3)c21
    InChI
    InChI=1S/C22H15BrFN3O3/c23-16-8-9-17-20(19(16)13-2-1-3-14(24)11-13)21(22(30)25-17)27-26-18(29)10-12-4-6-15(28)7-5-12/h1-9,11,28H,10H2,(H,26,29)(H,25,27,30)
    MOLECULAR FORMULA
    C22H15BrFN3O3
    CROSS REFERENCES
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    canSAR990512

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.03
    AlogP 3.98
    HBond donors 3
    HBond acceptors 6
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR990512.