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canSAR1769106
FEATURES
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NAMES
    SMILES
    Cn1ccnc1SCC(=O)c1ccc(O)c(O)c1
    InChI
    InChI=1S/C12H12N2O3S/c1-14-5-4-13-12(14)18-7-11(17)8-2-3-9(15)10(16)6-8/h2-6,15-16H,7H2,1H3
    MOLECULAR FORMULA
    C12H12N2O3S
    CROSS REFERENCES
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    canSAR1769106

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 264.06
    AlogP 1.81
    HBond donors 2
    HBond acceptors 5
    Atoms 30
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1769106.