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canSAR835067
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C31H43NO2/c1-19(2)21-10-13-31(18-33)15-14-29(6)22(25(21)31)8-9-24-28(5)16-20(17-32)26(34)27(3,4)23(28)11-12-30(24,29)7/h16,18,21-25H,1,8-15H2,2-7H3/t21-,22+,23-,24+,25+,28-,29+,30+,31+/m0/s1
    MOLECULAR FORMULA
    C31H43NO2
    CROSS REFERENCES
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    canSAR835067

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.33
    AlogP 7.08
    HBond donors 0
    HBond acceptors 3
    Atoms 77
    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 canSAR835067.