canSAR2229554
FEATURES
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NAMES
    SMILES
    N[C@]1(COP(=O)(O)O)CC[C@@H](c2ccc3c(c2)CC[C@@H](CSc2ccccc2)C3)C1
    InChI
    InChI=1S/C23H30NO4PS/c24-23(16-28-29(25,26)27)11-10-21(14-23)20-9-8-18-12-17(6-7-19(18)13-20)15-30-22-4-2-1-3-5-22/h1-5,8-9,13,17,21H,6-7,10-12,14-16,24H2,(H2,25,26,27)/t17-,21-,23-/m1/s1
    MOLECULAR FORMULA
    C23H30NO4PS
    CROSS REFERENCES
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    canSAR2229554
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight447.16
    AlogP4.66
    HBond donors4
    HBond acceptors5
    Atoms60
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2229554.