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canSAR1431638
FEATURES
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NAMES
    SMILES
    CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CCN=CC2=C(O)CC(C)(C)CC2=O)CC1
    InChI
    InChI=1S/C26H31N3O4/c1-17(23-24(32)18-6-4-5-7-19(18)25(23)33)29-12-10-28(11-13-29)9-8-27-16-20-21(30)14-26(2,3)15-22(20)31/h4-7,16,30H,8-15H2,1-3H3
    MOLECULAR FORMULA
    C26H31N3O4
    CROSS REFERENCES
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    canSAR1431638

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.23
    AlogP 3.23
    HBond donors 1
    HBond acceptors 7
    Atoms 64
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1431638.