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canSAR844518
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NAMES
    SMILES
    COC(=O)N1CCc2c3n(c4cc(Br)ccc24)[C@@H](O)CCC[C@@H]31
    InChI
    InChI=1S/C17H19BrN2O3/c1-23-17(22)19-8-7-12-11-6-5-10(18)9-14(11)20-15(21)4-2-3-13(19)16(12)20/h5-6,9,13,15,21H,2-4,7-8H2,1H3/t13-,15-/m0/s1
    MOLECULAR FORMULA
    C17H19BrN2O3
    CROSS REFERENCES
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    canSAR844518

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.06
    AlogP 3.74
    HBond donors 1
    HBond acceptors 5
    Atoms 42
    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 canSAR844518.