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canSAR836168
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NAMES
    SMILES
    CC1(C)O[C@H]2[C@@H](CC(=O)NCCc3c[nH]c4ccccc34)O[C@@H](CN(CCN/C(=N/C(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)/C(=N/C(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[C@H]2O1
    InChI
    InChI=1S/C56H60N8O12/c1-56(2)75-48-45(31-47(65)57-28-27-42-32-59-44-26-16-15-25-43(42)44)74-46(49(48)76-56)33-64(51(62-54(68)72-36-40-21-11-5-12-22-40)63-55(69)73-37-41-23-13-6-14-24-41)30-29-58-50(60-52(66)70-34-38-17-7-3-8-18-38)61-53(67)71-35-39-19-9-4-10-20-39/h3-26,32,45-46,48-49,59H,27-31,33-37H2,1-2H3,(H,57,65)(H,62,63,68,69)(H2,58,60,61,66,67)/t45-,46+,48+,49-/m1/s1
    MOLECULAR FORMULA
    C56H60N8O12
    CROSS REFERENCES
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    canSAR836168

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1036.43
    AlogP 7.63
    HBond donors 5
    HBond acceptors 20
    Atoms 136
    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 canSAR836168.