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canSAR1638875
FEATURES
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NAMES
    SMILES
    CCCCNC(=O)c1onc(CSc2cccc(OCC)c2)c1C(=O)O
    InChI
    InChI=1S/C18H22N2O5S/c1-3-5-9-19-17(21)16-15(18(22)23)14(20-25-16)11-26-13-8-6-7-12(10-13)24-4-2/h6-8,10H,3-5,9,11H2,1-2H3,(H,19,21)(H,22,23)
    MOLECULAR FORMULA
    C18H22N2O5S
    CROSS REFERENCES
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    canSAR1638875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.12
    AlogP 3.59
    HBond donors 2
    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 canSAR1638875.