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canSAR1062255
FEATURES
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NAMES
    SMILES
    CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(C(N)=S)cc3)CS[C@H]12)c1csc(N)n1
    InChI
    InChI=1S/C20H19N7O5S3/c1-32-25-12(11-8-35-20(22)23-11)16(28)24-13-17(29)27-14(19(30)31)10(7-34-18(13)27)6-26-4-2-9(3-5-26)15(21)33/h2-5,8,13,18H,6-7H2,1H3,(H5-,21,22,23,24,28,30,31,33)/b25-12-/t13-,18-/m1/s1
    MOLECULAR FORMULA
    C20H19N7O5S3
    CROSS REFERENCES
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    canSAR1062255

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.06
    AlogP -1.90
    HBond donors 5
    HBond acceptors 12
    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 canSAR1062255.