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canSAR1617013
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NAMES
    SMILES
    O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
    InChI
    InChI=1S/C18H19BrN2O3S/c19-16-10-9-14(18(22)20-15-7-3-1-4-8-15)13-17(16)25(23,24)21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,22)
    MOLECULAR FORMULA
    C18H19BrN2O3S
    CROSS REFERENCES
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    canSAR1617013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.03
    AlogP 3.88
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    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 canSAR1617013.