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canSAR1620876
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NAMES
    SMILES
    Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(Br)cc1F
    InChI
    InChI=1S/C17H15BrFN5O3S/c1-24-14(8-20-16(26)13-3-2-6-27-13)22-23-17(24)28-9-15(25)21-12-5-4-10(18)7-11(12)19/h2-7H,8-9H2,1H3,(H,20,26)(H,21,25)
    MOLECULAR FORMULA
    C17H15BrFN5O3S
    CROSS REFERENCES
    1620876 logo

    canSAR1620876

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.01
    AlogP 2.97
    HBond donors 2
    HBond acceptors 8
    Atoms 43
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620876.