canSAR1746556
FEATURES
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NAMES
    SMILES
    COc1cc(C=Nn2c(S)nnc2C2CCCCC2)cc(Br)c1O
    InChI
    InChI=1S/C16H19BrN4O2S/c1-23-13-8-10(7-12(17)14(13)22)9-18-21-15(19-20-16(21)24)11-5-3-2-4-6-11/h7-9,11,22H,2-6H2,1H3,(H,20,24)
    MOLECULAR FORMULA
    C16H19BrN4O2S
    CROSS REFERENCES
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    canSAR1746556
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight410.04
    AlogP3.97
    HBond donors1
    HBond acceptors6
    Atoms43
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746556.