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canSAR1154869
FEATURES
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NAMES
    SMILES
    COP(=S)(NN1C(=O)CS/C1=N/[C@@H]1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)c1ccccc1
    InChI
    InChI=1S/C21H26N3O9PS2/c1-12(25)31-16-10-30-20(19(33-14(3)27)18(16)32-13(2)26)22-21-24(17(28)11-36-21)23-34(35,29-4)15-8-6-5-7-9-15/h5-9,16,18-20H,10-11H2,1-4H3,(H,23,35)/b22-21+/t16-,18+,19-,20-,34?/m1/s1
    MOLECULAR FORMULA
    C21H26N3O9PS2
    CROSS REFERENCES
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    canSAR1154869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 559.08
    AlogP 0.86
    HBond donors 1
    HBond acceptors 12
    Atoms 62
    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 canSAR1154869.