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canSAR1406079
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NAMES
    SMILES
    CC1=C(C(N)=O)C(c2ccc(N(C)C)cc2)n2nc(SCc3ccc(SC(F)(F)F)cc3)nc2N1
    InChI
    InChI=1S/C23H23F3N6OS2/c1-13-18(20(27)33)19(15-6-8-16(9-7-15)31(2)3)32-21(28-13)29-22(30-32)34-12-14-4-10-17(11-5-14)35-23(24,25)26/h4-11,19H,12H2,1-3H3,(H2,27,33)(H,28,29,30)
    MOLECULAR FORMULA
    C23H23F3N6OS2
    CROSS REFERENCES
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    canSAR1406079

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.13
    AlogP 5.02
    HBond donors 3
    HBond acceptors 7
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1406079.