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canSAR913808
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NAMES
    SMILES
    COc1nc(NCC2OCCc3ccccc32)cc(-c2cccc(C(C)(C)C(=O)O)c2)n1
    InChI
    InChI=1S/C25H27N3O4/c1-25(2,23(29)30)18-9-6-8-17(13-18)20-14-22(28-24(27-20)31-3)26-15-21-19-10-5-4-7-16(19)11-12-32-21/h4-10,13-14,21H,11-12,15H2,1-3H3,(H,29,30)(H,26,27,28)
    MOLECULAR FORMULA
    C25H27N3O4
    CROSS REFERENCES
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    canSAR913808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.20
    AlogP 4.24
    HBond donors 2
    HBond acceptors 7
    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 canSAR913808.