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canSAR2090851
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NAMES
    SMILES
    CC(C)C1=CC[C@H](C(=O)NCCc2cccs2)[C@@]12C=CC(=O)CC2
    InChI
    InChI=1S/C20H25NO2S/c1-14(2)17-5-6-18(20(17)10-7-15(22)8-11-20)19(23)21-12-9-16-4-3-13-24-16/h3-5,7,10,13-14,18H,6,8-9,11-12H2,1-2H3,(H,21,23)/t18-,20-/m1/s1
    MOLECULAR FORMULA
    C20H25NO2S
    CROSS REFERENCES
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    canSAR2090851

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 343.16
    AlogP 3.91
    HBond donors 1
    HBond acceptors 3
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2090851.