canSAR2101412
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1
    InChI
    InChI=1S/C22H31NO5S/c1-5-28-21(25)19-14-17-18(8-6-7-9-20(17)24)23(19)29(26,27)16-12-10-15(11-13-16)22(2,3)4/h10-13,17-19H,5-9,14H2,1-4H3/t17-,18-,19-/m0/s1
    MOLECULAR FORMULA
    C22H31NO5S
    CROSS REFERENCES
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    canSAR2101412
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight421.19
    AlogP3.44
    HBond donors0
    HBond acceptors6
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2101412.