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canSAR924450
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NAMES
    SMILES
    COc1ccc([C@H]2[C@@H]3CS(=O)(=O)c4ccc(OC)cc4C3=NN2C(C)=O)cc1
    InChI
    InChI=1S/C20H20N2O5S/c1-12(23)22-20(13-4-6-14(26-2)7-5-13)17-11-28(24,25)18-9-8-15(27-3)10-16(18)19(17)21-22/h4-10,17,20H,11H2,1-3H3/t17-,20+/m1/s1
    MOLECULAR FORMULA
    C20H20N2O5S
    CROSS REFERENCES
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    canSAR924450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.11
    AlogP 2.41
    HBond donors 0
    HBond acceptors 7
    Atoms 48
    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 canSAR924450.