canSAR2062291
FEATURES
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NAMES
    SMILES
    CCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(Br)c3s2)CC1
    InChI
    InChI=1S/C20H22BrN7S2/c1-2-17(19-23-24-25-28(19)13-14-5-4-12-29-14)26-8-10-27(11-9-26)20-22-16-7-3-6-15(21)18(16)30-20/h3-7,12,17H,2,8-11,13H2,1H3
    MOLECULAR FORMULA
    C20H22BrN7S2
    CROSS REFERENCES
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    canSAR2062291
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight503.06
    AlogP4.43
    HBond donors0
    HBond acceptors7
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062291.