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canSAR1444442
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NAMES
    SMILES
    COC(=O)c1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1
    InChI
    InChI=1S/C21H21N3O5S/c1-13-5-4-6-14(2)19(13)28-11-18-23-24-21(29-18)30-12-17(25)22-16-9-7-15(8-10-16)20(26)27-3/h4-10H,11-12H2,1-3H3,(H,22,25)
    MOLECULAR FORMULA
    C21H21N3O5S
    CROSS REFERENCES
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    canSAR1444442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.12
    AlogP 3.78
    HBond donors 1
    HBond acceptors 8
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1444442.