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canSAR672445
FEATURES
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NAMES
    SMILES
    CCC1(CC)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(C)cc1
    InChI
    InChI=1S/C22H20F3N3OS/c1-4-21(5-2)19(29)27(20(30)28(21)16-9-6-14(3)7-10-16)17-11-8-15(13-26)18(12-17)22(23,24)25/h6-12H,4-5H2,1-3H3
    MOLECULAR FORMULA
    C22H20F3N3OS
    CROSS REFERENCES
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    canSAR672445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.13
    AlogP 5.58
    HBond donors 0
    HBond acceptors 4
    Atoms 50
    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 canSAR672445.