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canSAR1717086
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NAMES
    SMILES
    COc1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCCC3)[C@H]2CO)cc1
    InChI
    InChI=1S/C25H28N2O3/c1-30-19-13-11-17(12-14-19)20-9-5-6-10-21(20)24-22(15-26)27(23(24)16-28)25(29)18-7-3-2-4-8-18/h5-6,9-14,18,22-24,28H,2-4,7-8,16H2,1H3/t22-,23+,24+/m1/s1
    MOLECULAR FORMULA
    C25H28N2O3
    CROSS REFERENCES
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    canSAR1717086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.21
    AlogP 4.12
    HBond donors 1
    HBond acceptors 5
    Atoms 58
    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 canSAR1717086.