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canSAR1864341
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NAMES
    SMILES
    OC[C@@H]1CC[C@@H]2O[C@H](CCc3ccc(C#CCc4ccccc4)cc3)[C@H](n3cc(-c4ccccc4)nn3)C[C@@H]2O1
    InChI
    InChI=1S/C34H35N3O3/c38-24-29-19-21-33-34(39-29)22-31(37-23-30(35-36-37)28-12-5-2-6-13-28)32(40-33)20-18-27-16-14-26(15-17-27)11-7-10-25-8-3-1-4-9-25/h1-6,8-9,12-17,23,29,31-34,38H,10,18-22,24H2/t29-,31+,32+,33-,34-/m0/s1
    MOLECULAR FORMULA
    C34H35N3O3
    CROSS REFERENCES
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    canSAR1864341

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.27
    AlogP 5.41
    HBond donors 1
    HBond acceptors 6
    Atoms 75
    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 canSAR1864341.