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canSAR1976816
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NAMES
    SMILES
    C[C@H](Br)[C@H](C)NCC(O)CNC(=O)c1ccc([N+](=O)[O-])o1
    InChI
    InChI=1S/C12H18BrN3O5/c1-7(13)8(2)14-5-9(17)6-15-12(18)10-3-4-11(21-10)16(19)20/h3-4,7-9,14,17H,5-6H2,1-2H3,(H,15,18)/t7-,8-,9?/m0/s1
    MOLECULAR FORMULA
    C12H18BrN3O5
    CROSS REFERENCES
    1976816 logo

    canSAR1976816

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.04
    AlogP 1.04
    HBond donors 3
    HBond acceptors 8
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1976816.