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canSAR1127719
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](O/N=C(\C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1CNC(=O)NCc1cc(=O)c(O)cn1O)c1csc(N)n1)C(=O)O
    InChI
    InChI=1S/C22H28N8O12S2/c1-9(2)3-15(20(35)36)42-28-16(11-8-43-21(23)26-11)18(33)27-17-12(30(19(17)34)44(39,40)41)6-25-22(37)24-5-10-4-13(31)14(32)7-29(10)38/h4,7-9,12,15,17,32,38H,3,5-6H2,1-2H3,(H2,23,26)(H,27,33)(H,35,36)(H2,24,25,37)(H,39,40,41)/b28-16-/t12-,15+,17+/m1/s1
    MOLECULAR FORMULA
    C22H28N8O12S2
    CROSS REFERENCES
    1127719 logo

    canSAR1127719

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 660.13
    AlogP -1.95
    HBond donors 9
    HBond acceptors 20
    Atoms 72
    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 canSAR1127719.