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canSAR2096002
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NAMES
    SMILES
    COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]12
    InChI
    InChI=1S/C16H16BrNO5/c1-21-15(19)10-7-11(16(20)22-2)14-12(10)13(18-23-14)8-3-5-9(17)6-4-8/h3-6,10-12,14H,7H2,1-2H3/t10-,11+,12+,14+/m0/s1
    MOLECULAR FORMULA
    C16H16BrNO5
    CROSS REFERENCES
    2096002 logo

    canSAR2096002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.02
    AlogP 2.15
    HBond donors 0
    HBond acceptors 6
    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 canSAR2096002.