canSAR1746669
FEATURES
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NAMES
    SMILES
    C[C@H](CC[S@@+](=N)([O-])c1ccccc1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C
    InChI
    InChI=1S/C28H41NO3S/c1-20(14-16-33(29,32)25-8-4-3-5-9-25)26-12-13-27-22(7-6-15-28(26,27)2)11-10-21-17-23(30)19-24(31)18-21/h3-5,8-11,20,23-24,26-27,30-31H,6-7,12-19H2,1-2H3,(H-,29,32)/b22-11+/t20-,23-,24-,26-,27+,28-,33-/m1/s1
    MOLECULAR FORMULA
    C28H41NO3S
    CROSS REFERENCES
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    canSAR1746669
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight471.28
    AlogP6.09
    HBond donors3
    HBond acceptors4
    Atoms74
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746669.