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canSAR1725301
FEATURES
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NAMES
    SMILES
    CCN1CCN(CCCNC(=O)c2ccc(C[S+]([O-])c3ccc(Br)cc3)o2)CC1
    InChI
    InChI=1S/C21H28BrN3O3S/c1-2-24-12-14-25(15-13-24)11-3-10-23-21(26)20-9-6-18(28-20)16-29(27)19-7-4-17(22)5-8-19/h4-9H,2-3,10-16H2,1H3,(H,23,26)
    MOLECULAR FORMULA
    C21H28BrN3O3S
    CROSS REFERENCES
    1725301 logo

    canSAR1725301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.10
    AlogP 3.11
    HBond donors 1
    HBond acceptors 6
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1725301.