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canSAR50223
FEATURES
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NAMES
    SMILES
    CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)c(O)c2sccc21
    InChI
    InChI=1S/C21H22N4O6S2/c1-11(2)5-7-25-14-6-8-32-19(14)18(27)17(21(25)28)20-23-13-4-3-12(31-10-16(22)26)9-15(13)33(29,30)24-20/h3-4,6,8-9,11,27H,5,7,10H2,1-2H3,(H2,22,26)(H,23,24)
    MOLECULAR FORMULA
    C21H22N4O6S2
    CROSS REFERENCES
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    canSAR50223

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.10
    AlogP 2.24
    HBond donors 4
    HBond acceptors 10
    Atoms 55
    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 canSAR50223.