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canSAR562514
FEATURES
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NAMES
    SMILES
    COC(=O)CC(CC(=O)OC)OC[n+]1ccc(N)nc1.[Br-]
    InChI
    InChI=1S/C12H17N3O5.BrH/c1-18-11(16)5-9(6-12(17)19-2)20-8-15-4-3-10(13)14-7-15;/h3-4,7,9,13H,5-6,8H2,1-2H3;1H
    MOLECULAR FORMULA
    C12H18BrN3O5
    CROSS REFERENCES
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    canSAR562514

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.04
    AlogP -3.58
    HBond donors 2
    HBond acceptors 8
    Atoms 39
    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 canSAR562514.