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canSAR464210
FEATURES
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NAMES
    SMILES
    Cc1cccc2c1OP(=O)(OC[C@H]1O[C@@H](n3cc(/C=C/Br)c(=O)[nH]c3=O)C[C@H]1O)OC2
    InChI
    InChI=1S/C19H20BrN2O8P/c1-11-3-2-4-13-9-27-31(26,30-17(11)13)28-10-15-14(23)7-16(29-15)22-8-12(5-6-20)18(24)21-19(22)25/h2-6,8,14-16,23H,7,9-10H2,1H3,(H,21,24,25)/b6-5+/t14-,15-,16-,31?/m1/s1
    MOLECULAR FORMULA
    C19H20BrN2O8P
    CROSS REFERENCES
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    canSAR464210

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.01
    AlogP 2.59
    HBond donors 2
    HBond acceptors 10
    Atoms 51
    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 canSAR464210.