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canSAR2280637
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NAMES
    SMILES
    CCOC(=O)C1=C(CN2CCOCC2)NC(c2nncs2)=NC1c1ccc(F)cc1Br
    InChI
    InChI=1S/C20H21BrFN5O3S/c1-2-30-20(28)16-15(10-27-5-7-29-8-6-27)24-18(19-26-23-11-31-19)25-17(16)13-4-3-12(22)9-14(13)21/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C20H21BrFN5O3S
    CROSS REFERENCES
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    canSAR2280637

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.05
    AlogP 2.68
    HBond donors 1
    HBond acceptors 8
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2280637.