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canSAR1201643
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@H]1O[C@@H](n2cc(CBr)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C17H22BrN3O9/c1-8(22)26-7-13-14(27-9(2)23)15(28-10(3)24)16(29-11(4)25)17(30-13)21-6-12(5-18)19-20-21/h6,13-17H,5,7H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
    MOLECULAR FORMULA
    C17H22BrN3O9
    CROSS REFERENCES
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    canSAR1201643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.05
    AlogP 0.43
    HBond donors 0
    HBond acceptors 12
    Atoms 52
    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 canSAR1201643.