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canSAR784612
FEATURES
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NAMES
    SMILES
    CCCS(=O)(=O)C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OC)c3csc(N)n3)[C@H]2CC1
    InChI
    InChI=1S/C17H21N5O7S2/c1-3-6-31(27,28)10-5-4-9-12(15(24)22(9)13(10)16(25)26)20-14(23)11(21-29-2)8-7-30-17(18)19-8/h7,9,12H,3-6H2,1-2H3,(H2,18,19)(H,20,23)(H,25,26)/b21-11+/t9-,12+/m1/s1
    MOLECULAR FORMULA
    C17H21N5O7S2
    CROSS REFERENCES
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    canSAR784612

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.09
    AlogP -0.31
    HBond donors 4
    HBond acceptors 12
    Atoms 52
    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 canSAR784612.