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canSAR1112291
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NAMES
    SMILES
    CC(C)c1ccc(/C(=C2/C(=O)N(Cc3cccc(C(=O)O)c3)c3ccccc32)c2ccccc2)cc1
    InChI
    InChI=1S/C32H27NO3/c1-21(2)23-15-17-25(18-16-23)29(24-10-4-3-5-11-24)30-27-13-6-7-14-28(27)33(31(30)34)20-22-9-8-12-26(19-22)32(35)36/h3-19,21H,20H2,1-2H3,(H,35,36)/b30-29+
    MOLECULAR FORMULA
    C32H27NO3
    CROSS REFERENCES
    1112291 logo

    canSAR1112291

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.20
    AlogP 7.01
    HBond donors 1
    HBond acceptors 4
    Atoms 63
    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 canSAR1112291.