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canSAR1596764
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NAMES
    SMILES
    C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCNC
    InChI
    InChI=1S/C20H19BrFN5O2/c1-3-19(28)26-17-9-13-16(10-18(17)29-7-6-23-2)24-11-25-20(13)27-15-5-4-12(21)8-14(15)22/h3-5,8-11,23H,1,6-7H2,2H3,(H,26,28)(H,24,25,27)
    MOLECULAR FORMULA
    C20H19BrFN5O2
    CROSS REFERENCES
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    canSAR1596764

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.07
    AlogP 4.00
    HBond donors 3
    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 canSAR1596764.