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canSAR1205896
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2/C=C\C#N
    InChI
    InChI=1S/C22H33NO/c1-21-12-10-20-18(19(21)8-6-15(21)4-3-13-23)7-5-16-14-17(24)9-11-22(16,20)2/h3-4,15-20,24H,5-12,14H2,1-2H3/b4-3-/t15-,16+,17+,18-,19-,20-,21+,22-/m0/s1
    MOLECULAR FORMULA
    C22H33NO
    CROSS REFERENCES
    1205896 logo

    canSAR1205896

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.26
    AlogP 5.09
    HBond donors 1
    HBond acceptors 2
    Atoms 57
    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 canSAR1205896.