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canSAR2094781
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NAMES
    SMILES
    C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N(C)C)nc3)ncc2[S+](C)[O-])c1
    InChI
    InChI=1S/C21H23N7O2S/c1-5-19(29)24-14-7-6-8-15(11-14)25-20-17(31(4)30)13-23-21(27-20)26-16-9-10-18(22-12-16)28(2)3/h5-13H,1H2,2-4H3,(H,24,29)(H2,23,25,26,27)
    MOLECULAR FORMULA
    C21H23N7O2S
    CROSS REFERENCES
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    canSAR2094781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.16
    AlogP 3.29
    HBond donors 3
    HBond acceptors 9
    Atoms 54
    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 canSAR2094781.