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canSAR353680
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NAMES
    SMILES
    CC(C)(C)c1ccc(C(c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2CO)cc1
    InChI
    InChI=1S/C29H36N2O2/c1-29(2,3)25-14-12-23(13-15-25)28(24-10-7-11-27(33)18-24)31-17-16-30(20-26(31)21-32)19-22-8-5-4-6-9-22/h4-15,18,26,28,32-33H,16-17,19-21H2,1-3H3/t26-,28?/m1/s1
    MOLECULAR FORMULA
    C29H36N2O2
    CROSS REFERENCES
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    canSAR353680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.28
    AlogP 4.96
    HBond donors 2
    HBond acceptors 4
    Atoms 69
    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 canSAR353680.