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canSAR1023970
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NAMES
    SMILES
    CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C
    InChI
    InChI=1S/C21H31NO2/c1-13(23)17-6-7-18-16-5-4-14-12-15(22-24)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19,24H,4-11H2,1-3H3/b22-15+/t16-,17+,18-,19-,20-,21+/m0/s1
    MOLECULAR FORMULA
    C21H31NO2
    CROSS REFERENCES
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    canSAR1023970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 329.24
    AlogP 4.98
    HBond donors 1
    HBond acceptors 3
    Atoms 55
    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 canSAR1023970.