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canSAR1594601
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NAMES
    SMILES
    CC(C)(C)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1
    InChI
    InChI=1S/C24H33F3N4O2S/c1-22(2,3)19-14-31(13-16-8-7-11-33-16)21(34-19)28-20(32)17-12-15(24(25,26)27)9-10-18(17)29-30-23(4,5)6/h9-10,12,14,16,29-30H,7-8,11,13H2,1-6H3/b28-21-/t16-/m1/s1
    MOLECULAR FORMULA
    C24H33F3N4O2S
    CROSS REFERENCES
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    canSAR1594601

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.23
    AlogP 5.50
    HBond donors 2
    HBond acceptors 6
    Atoms 67
    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 canSAR1594601.