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canSAR746998
FEATURES
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NAMES
    SMILES
    CC(C)Cn1c(=O)n(CCC2CCCCC2)c(=O)c2[nH]c(Cc3ccc(Br)cc3)nc21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C24H31BrN4O2.C2HF3O2/c1-16(2)15-29-22-21(26-20(27-22)14-18-8-10-19(25)11-9-18)23(30)28(24(29)31)13-12-17-6-4-3-5-7-17;3-2(4,5)1(6)7/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,26,27);(H,6,7)
    MOLECULAR FORMULA
    C26H32BrF3N4O4
    CROSS REFERENCES
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    canSAR746998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.16
    AlogP 5.50
    HBond donors 2
    HBond acceptors 8
    Atoms 70
    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 canSAR746998.