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canSAR834866
FEATURES
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NAMES
    SMILES
    O=C(C[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
    InChI
    InChI=1S/C56H62N2O9/c59-44-24-23-42-29-47-56(61)26-25-43(54-55(56,49(42)50(44)67-54)27-28-58(47)31-37-21-22-37)57-48(60)30-45-51(63-33-39-15-7-2-8-16-39)53(65-35-41-19-11-4-12-20-41)52(64-34-40-17-9-3-10-18-40)46(66-45)36-62-32-38-13-5-1-6-14-38/h1-20,23-24,37,43,45-47,51-54,59,61H,21-22,25-36H2,(H,57,60)/t43-,45-,46+,47+,51-,52+,53+,54-,55-,56+/m0/s1
    MOLECULAR FORMULA
    C56H62N2O9
    CROSS REFERENCES
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    canSAR834866

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 906.45
    AlogP 7.57
    HBond donors 3
    HBond acceptors 11
    Atoms 129
    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 canSAR834866.