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canSAR350655
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NAMES
    SMILES
    C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]2CC/C(C)=C/CC1
    InChI
    InChI=1S/C28H38N2O2/c1-22-8-6-9-23(2)20-27-25(14-13-22)26(28(31)32-27)21-30-18-16-29(17-19-30)15-7-12-24-10-4-3-5-11-24/h3-5,7-8,10-12,20,25-27H,6,9,13-19,21H2,1-2H3/b12-7+,22-8-,23-20+/t25-,26-,27+/m0/s1
    MOLECULAR FORMULA
    C28H38N2O2
    CROSS REFERENCES
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    canSAR350655

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.29
    AlogP 4.94
    HBond donors 0
    HBond acceptors 4
    Atoms 70
    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 canSAR350655.