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canSAR1987630
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NAMES
    SMILES
    C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC1CCN(C(C)=O)C1
    InChI
    InChI=1S/C23H21BrFN5O3/c1-3-22(32)28-20-9-16-19(10-21(20)33-15-6-7-30(11-15)13(2)31)26-12-27-23(16)29-18-5-4-14(24)8-17(18)25/h3-5,8-10,12,15H,1,6-7,11H2,2H3,(H,28,32)(H,26,27,29)
    MOLECULAR FORMULA
    C23H21BrFN5O3
    CROSS REFERENCES
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    canSAR1987630

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.08
    AlogP 4.40
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR1987630.