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canSAR779882
FEATURES
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NAMES
    SMILES
    CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C([n+]3cccc4c3CCC4)CC[C@H]12)c1csc(N)n1
    InChI
    InChI=1S/C22H22N6O5S/c1-33-26-16(12-10-34-22(23)24-12)19(29)25-17-14-7-8-15(18(21(31)32)28(14)20(17)30)27-9-3-5-11-4-2-6-13(11)27/h3,5,9-10,14,17H,2,4,6-8H2,1H3,(H3-,23,24,25,29,31,32)/p+1/b26-16-/t14-,17+/m1/s1
    MOLECULAR FORMULA
    C22H23N6O5S+
    CROSS REFERENCES
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    canSAR779882

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.14
    AlogP 0.29
    HBond donors 4
    HBond acceptors 11
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR779882.