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canSAR921776
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NAMES
    SMILES
    CC(=O)[C@H]1CCC2C3CC[C@H]4C[C@H](O)[C@@H](N5CCSC(C)(C)C5)C[C@]4(C)C3CC[C@@]21C
    InChI
    InChI=1S/C27H45NO2S/c1-17(29)20-8-9-21-19-7-6-18-14-24(30)23(28-12-13-31-25(2,3)16-28)15-27(18,5)22(19)10-11-26(20,21)4/h18-24,30H,6-16H2,1-5H3/t18-,19?,20+,21?,22?,23-,24-,26+,27-/m0/s1
    MOLECULAR FORMULA
    C27H45NO2S
    CROSS REFERENCES
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    canSAR921776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.32
    AlogP 5.40
    HBond donors 1
    HBond acceptors 3
    Atoms 76
    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 canSAR921776.