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canSAR839902
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NAMES
    SMILES
    CO[C@@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@@]1(C)I
    InChI
    InChI=1S/C11H16IN5O5/c1-11(12)8(19)14-10(20)17(9(11)21-2)7-3-5(15-16-13)6(4-18)22-7/h5-7,9,18H,3-4H2,1-2H3,(H,14,19,20)/t5?,6?,7?,9-,11+/m0/s1
    MOLECULAR FORMULA
    C11H16IN5O5
    CROSS REFERENCES
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    canSAR839902

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.02
    AlogP 0.49
    HBond donors 2
    HBond acceptors 10
    Atoms 38
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR839902.