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canSAR1156185
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NAMES
    SMILES
    C=CC(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)[C@@]2(C1)[C@H](c1ccc(C)cc1)CN(C)[C@]21C(=O)Nc2ccccc21
    InChI
    InChI=1S/C34H33N3O3/c1-5-30(38)37-19-26(18-24-14-10-22(2)11-15-24)31(39)33(21-37)28(25-16-12-23(3)13-17-25)20-36(4)34(33)27-8-6-7-9-29(27)35-32(34)40/h5-18,28H,1,19-21H2,2-4H3,(H,35,40)/b26-18+/t28-,33+,34+/m0/s1
    MOLECULAR FORMULA
    C34H33N3O3
    CROSS REFERENCES
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    canSAR1156185

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.25
    AlogP 4.85
    HBond donors 1
    HBond acceptors 6
    Atoms 73
    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 canSAR1156185.