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canSAR993788
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(C#N)cc1
    InChI
    InChI=1S/C29H35NO3/c1-27-13-12-23-21(15-26-29(33-26)16-20(31)11-14-28(23,29)2)22(27)8-9-24(27)25(32)10-7-18-3-5-19(17-30)6-4-18/h3-7,10,20-24,26,31H,8-9,11-16H2,1-2H3/b10-7+/t20-,21-,22-,23-,24+,26-,27-,28+,29-/m0/s1
    MOLECULAR FORMULA
    C29H35NO3
    CROSS REFERENCES
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    canSAR993788

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.26
    AlogP 5.29
    HBond donors 1
    HBond acceptors 4
    Atoms 68
    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 canSAR993788.