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canSAR561480
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NAMES
    SMILES
    O=c1cc(NCCCNCc2cc(Br)cs2)[nH]c2ccccc12
    InChI
    InChI=1S/C17H18BrN3OS/c18-12-8-13(23-11-12)10-19-6-3-7-20-17-9-16(22)14-4-1-2-5-15(14)21-17/h1-2,4-5,8-9,11,19H,3,6-7,10H2,(H2,20,21,22)
    MOLECULAR FORMULA
    C17H18BrN3OS
    CROSS REFERENCES
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    canSAR561480

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.04
    AlogP 3.94
    HBond donors 3
    HBond acceptors 4
    Atoms 41
    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 canSAR561480.