canSAR1631810
FEATURES
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NAMES
    SMILES
    CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1nonc1NC(C)=O
    InChI
    InChI=1S/C17H18BrN7O3S/c1-4-25-16(14-15(19-10(3)26)24-28-23-14)21-22-17(25)29-8-13(27)20-12-6-5-9(2)7-11(12)18/h5-7H,4,8H2,1-3H3,(H,20,27)(H,19,24,26)
    MOLECULAR FORMULA
    C17H18BrN7O3S
    CROSS REFERENCES
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    canSAR1631810
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight479.04
    AlogP3.11
    HBond donors2
    HBond acceptors10
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631810.