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canSAR1618429
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NAMES
    SMILES
    CC(=O)NNc1nc(C)c(C(/C=C/c2ccc(NC(C)=O)cc2)=N/NS(=O)(=O)c2ccc(C)cc2)s1
    InChI
    InChI=1S/C24H26N6O4S2/c1-15-5-12-21(13-6-15)36(33,34)30-28-22(23-16(2)25-24(35-23)29-27-18(4)32)14-9-19-7-10-20(11-8-19)26-17(3)31/h5-14,30H,1-4H3,(H,25,29)(H,26,31)(H,27,32)/b14-9+,28-22+
    MOLECULAR FORMULA
    C24H26N6O4S2
    CROSS REFERENCES
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    canSAR1618429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.15
    AlogP 3.58
    HBond donors 4
    HBond acceptors 10
    Atoms 62
    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 canSAR1618429.