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canSAR149660
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NAMES
    SMILES
    CCCCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCCCC
    InChI
    InChI=1S/C22H28NO3PS/c1-3-5-15-25-27(24,26-16-6-4-2)17-18-11-13-19(14-12-18)22-23-20-9-7-8-10-21(20)28-22/h7-14H,3-6,15-17H2,1-2H3
    MOLECULAR FORMULA
    C22H28NO3PS
    CROSS REFERENCES
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    canSAR149660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.15
    AlogP 7.29
    HBond donors 0
    HBond acceptors 4
    Atoms 56
    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 canSAR149660.