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canSAR92149
FEATURES
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NAMES
    SMILES
    C[n+]1ccc(N)nc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OC(C)(C)C(=O)O)c3cnc(N)s3)C2SC1
    InChI
    InChI=1S/C22H24N8O7S3/c1-22(2,19(35)36)37-28-12(10-6-25-20(24)40-10)15(31)27-13-16(32)30-14(18(33)34)9(7-38-17(13)30)8-39-21-26-11(23)4-5-29(21)3/h4-6,13,17,23H,7-8H2,1-3H3,(H5,24,25,27,28,31,33,34,35,36)/p+1
    MOLECULAR FORMULA
    C22H25N8O7S3+
    CROSS REFERENCES
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    canSAR92149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 609.10
    AlogP -0.36
    HBond donors 7
    HBond acceptors 15
    Atoms 65
    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 canSAR92149.