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canSAR1826695
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NAMES
    SMILES
    O=C(c1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO
    InChI
    InChI=1S/C28H25N3O3/c32-19-25-27(22-14-12-21(13-15-22)10-6-9-20-7-2-1-3-8-20)24-17-30(18-26(33)31(24)25)28(34)23-11-4-5-16-29-23/h1-5,7-8,11-16,24-25,27,32H,9,17-19H2/t24-,25+,27-/m1/s1
    MOLECULAR FORMULA
    C28H25N3O3
    CROSS REFERENCES
    1826695 logo

    canSAR1826695

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.19
    AlogP 2.49
    HBond donors 1
    HBond acceptors 6
    Atoms 59
    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 canSAR1826695.