canSAR1774981
FEATURES
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NAMES
    SMILES
    Cc1c(N[S+](=O)([O-])c2ccc(Br)cc2)c(CCc2ccccc2)nn1C
    InChI
    InChI=1S/C19H20BrN3O2S/c1-14-19(22-26(24,25)17-11-9-16(20)10-12-17)18(21-23(14)2)13-8-15-6-4-3-5-7-15/h3-7,9-12H,8,13H2,1-2H3,(H-,22,24,25)
    MOLECULAR FORMULA
    C19H20BrN3O2S
    CROSS REFERENCES
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    canSAR1774981
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight433.05
    AlogP4.29
    HBond donors1
    HBond acceptors5
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1774981.