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canSAR1093616
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NAMES
    SMILES
    CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(F)cccc3F)C[C@@H]3C[C@@H]3C2)CC1
    InChI
    InChI=1S/C21H29F2N3O3S/c1-2-10-30(28,29)26-8-6-25(7-9-26)21(12-15-11-16(15)13-21)14-24-20(27)19-17(22)4-3-5-18(19)23/h3-5,15-16H,2,6-14H2,1H3,(H,24,27)/t15-,16+,21?
    MOLECULAR FORMULA
    C21H29F2N3O3S
    CROSS REFERENCES
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    canSAR1093616

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.19
    AlogP 2.22
    HBond donors 1
    HBond acceptors 6
    Atoms 59
    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 canSAR1093616.