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canSAR2002488
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NAMES
    SMILES
    O=C1CCN(CCc2ccccc2)CCN1C(CSc1ccc(Br)cc1)c1ccccc1
    InChI
    InChI=1S/C27H29BrN2OS/c28-24-11-13-25(14-12-24)32-21-26(23-9-5-2-6-10-23)30-20-19-29(18-16-27(30)31)17-15-22-7-3-1-4-8-22/h1-14,26H,15-21H2
    MOLECULAR FORMULA
    C27H29BrN2OS
    CROSS REFERENCES
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    canSAR2002488

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.12
    AlogP 6.06
    HBond donors 0
    HBond acceptors 3
    Atoms 61
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2002488.