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canSAR1992071
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NAMES
    SMILES
    Cc1cc(C)c(NC(=O)C[S+]([O-])CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c(C)c1
    InChI
    InChI=1S/C21H24N6O3S/c1-13-7-15(3)21(16(4)8-13)24-20(29)11-31(30)10-19(28)23-17-5-6-18(14(2)9-17)27-12-22-25-26-27/h5-9,12H,10-11H2,1-4H3,(H,23,28)(H,24,29)
    MOLECULAR FORMULA
    C21H24N6O3S
    CROSS REFERENCES
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    canSAR1992071

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.16
    AlogP 2.22
    HBond donors 2
    HBond acceptors 9
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1992071.