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canSAR463250
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NAMES
    SMILES
    CC(C)Oc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OC1CCCC1
    InChI
    InChI=1S/C22H31N3O4/c1-16(2)28-19-8-7-17(13-20(19)29-18-5-3-4-6-18)22(15-23)9-11-25(12-10-22)14-21(26)24-27/h7-8,13,16,18,27H,3-6,9-12,14H2,1-2H3,(H,24,26)
    MOLECULAR FORMULA
    C22H31N3O4
    CROSS REFERENCES
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    canSAR463250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.23
    AlogP 3.16
    HBond donors 2
    HBond acceptors 7
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR463250.