canSAR8582
FEATURES
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NAMES
    SMILES
    O=C(C1CCN(c2ccncc2)CC1)N1CCC(CNS(=O)(=O)/C=C/c2ccc(Br)s2)C1
    InChI
    InChI=1S/C22H27BrN4O3S2/c23-21-2-1-20(31-21)8-14-32(29,30)25-15-17-5-11-27(16-17)22(28)18-6-12-26(13-7-18)19-3-9-24-10-4-19/h1-4,8-10,14,17-18,25H,5-7,11-13,15-16H2/b14-8+
    MOLECULAR FORMULA
    C22H27BrN4O3S2
    CROSS REFERENCES
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    canSAR8582
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight538.07
    AlogP3.56
    HBond donors1
    HBond acceptors7
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR8582.