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canSAR1141729
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NAMES
    SMILES
    COc1ccc(OCCF)cc1-c1nc(CSc2nc(N)cc(N)n2)cs1
    InChI
    InChI=1S/C17H18FN5O2S2/c1-24-13-3-2-11(25-5-4-18)6-12(13)16-21-10(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
    MOLECULAR FORMULA
    C17H18FN5O2S2
    CROSS REFERENCES
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    canSAR1141729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.09
    AlogP 3.41
    HBond donors 4
    HBond acceptors 7
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1141729.