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canSAR220325
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NAMES
    SMILES
    OC[C@@H](c1ccccc1)N1[C@@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1
    InChI
    InChI=1S/C28H33NO/c30-22-28(25-14-8-3-9-15-25)29-26(18-16-23-10-4-1-5-11-23)20-21-27(29)19-17-24-12-6-2-7-13-24/h1-15,26-28,30H,16-22H2/t26-,27-,28-/m0/s1
    MOLECULAR FORMULA
    C28H33NO
    CROSS REFERENCES
    220325 logo

    canSAR220325

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.26
    AlogP 5.82
    HBond donors 1
    HBond acceptors 2
    Atoms 63
    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 canSAR220325.