canSAR1417430
FEATURES
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NAMES
    SMILES
    CC(C)CCN=C(S)Nc1ccc(Br)cc1
    InChI
    InChI=1S/C12H17BrN2S/c1-9(2)7-8-14-12(16)15-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16)
    MOLECULAR FORMULA
    C12H17BrN2S
    CROSS REFERENCES
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    canSAR1417430
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight300.03
    AlogP4.19
    HBond donors1
    HBond acceptors2
    Atoms33
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417430.