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canSAR463251
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NAMES
    SMILES
    O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2O)on1
    InChI
    InChI=1S/C25H26N2O3/c28-22-13-5-4-10-20(22)23-16-21(27-30-23)18-11-6-12-19(18)24(29)26-25(14-7-15-25)17-8-2-1-3-9-17/h1-5,8-10,13,16,18-19,28H,6-7,11-12,14-15H2,(H,26,29)/t18-,19-/m1/s1
    MOLECULAR FORMULA
    C25H26N2O3
    CROSS REFERENCES
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    canSAR463251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.19
    AlogP 5.13
    HBond donors 2
    HBond acceptors 5
    Atoms 56
    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 canSAR463251.