canSAR1746198
FEATURES
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NAMES
    SMILES
    Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccc(Br)cc1
    InChI
    InChI=1S/C21H16BrN3O2S/c1-12-16(10-17-19(26)23-21(28)24-20(17)27)15-4-2-3-5-18(15)25(12)11-13-6-8-14(22)9-7-13/h2-10H,11H2,1H3,(H2,23,24,26,27,28)
    MOLECULAR FORMULA
    C21H16BrN3O2S
    CROSS REFERENCES
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    canSAR1746198
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight453.01
    AlogP3.67
    HBond donors2
    HBond acceptors5
    Atoms44
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746198.