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canSAR646821
FEATURES
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NAMES
    SMILES
    N#CC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1
    InChI
    InChI=1S/C20H18ClF4N3O6S3/c21-14-5-6-17(18(11-14)35(29,30)16-4-2-1-3-15(16)22)36(31,32)28-9-7-19(12-26,8-10-28)13-27-37(33,34)20(23,24)25/h1-6,11,27H,7-10,13H2
    MOLECULAR FORMULA
    C20H18ClF4N3O6S3
    CROSS REFERENCES
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    canSAR646821

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.00
    AlogP 3.05
    HBond donors 1
    HBond acceptors 9
    Atoms 55
    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 canSAR646821.