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canSAR2052953
FEATURES
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NAMES
    SMILES
    CC1(C)C(=O)N(c2ccc(C#N)cc2C(F)(F)F)C(=S)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
    InChI
    InChI=1S/C21H12F9N3OS/c1-18(2)16(34)32(15-4-3-10(9-31)5-14(15)21(28,29)30)17(35)33(18)13-7-11(19(22,23)24)6-12(8-13)20(25,26)27/h3-8H,1-2H3
    MOLECULAR FORMULA
    C21H12F9N3OS
    CROSS REFERENCES
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    canSAR2052953

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.06
    AlogP 6.53
    HBond donors 0
    HBond acceptors 4
    Atoms 47
    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 canSAR2052953.