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canSAR782539
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3cccnc3)S[C@H]12
    InChI
    InChI=1S/C15H14N2O6S/c1-7(18)10-12(19)17-11(14(20)21)9(24-13(10)17)6-23-15(22)8-3-2-4-16-5-8/h2-5,7,10,13,18H,6H2,1H3,(H,20,21)/t7-,10+,13-/m1/s1
    MOLECULAR FORMULA
    C15H14N2O6S
    CROSS REFERENCES
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    canSAR782539

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 350.06
    AlogP 0.45
    HBond donors 2
    HBond acceptors 8
    Atoms 38
    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 canSAR782539.