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canSAR99040
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NAMES
    SMILES
    CN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCCCl
    InChI
    InChI=1S/C20H21ClF3NOS2/c1-25(19(27)28-14-12-21)13-11-18(15-5-3-2-4-6-15)26-17-9-7-16(8-10-17)20(22,23)24/h2-10,18H,11-14H2,1H3
    MOLECULAR FORMULA
    C20H21ClF3NOS2
    CROSS REFERENCES
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    canSAR99040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.07
    AlogP 6.40
    HBond donors 0
    HBond acceptors 2
    Atoms 49
    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 canSAR99040.