canSAR2183055
FEATURES
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NAMES
    SMILES
    CC(C)(C)CSC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1
    InChI
    InChI=1S/C22H36NO4PS/c1-21(2,3)15-29-13-16-4-5-18-11-19(7-6-17(18)10-16)20-8-9-22(23,12-20)14-27-28(24,25)26/h6-7,11,16,20H,4-5,8-10,12-15,23H2,1-3H3,(H2,24,25,26)/t16-,20-,22+/m0/s1
    MOLECULAR FORMULA
    C22H36NO4PS
    CROSS REFERENCES
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    canSAR2183055
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight441.21
    AlogP4.65
    HBond donors4
    HBond acceptors5
    Atoms65
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2183055.