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canSAR1591826
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCOC(COC)COP(O)(O)=S
    InChI
    InChI=1S/C21H45O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(19-24-2)20-26-27(22,23)28/h21H,3-20H2,1-2H3,(H2,22,23,28)
    MOLECULAR FORMULA
    C21H45O5PS
    CROSS REFERENCES
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    canSAR1591826

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.27
    AlogP 6.12
    HBond donors 2
    HBond acceptors 5
    Atoms 73
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1591826.