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canSAR1085838
FEATURES
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NAMES
    SMILES
    CC[C@@H](CC#N)NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1
    InChI
    InChI=1S/C16H18N4O4S/c1-3-10(7-8-17)18-16(22)13-9-14(21)11-5-4-6-12(15(11)19-13)20-25(2,23)24/h4-6,9-10,20H,3,7H2,1-2H3,(H,18,22)(H,19,21)/t10-/m0/s1
    MOLECULAR FORMULA
    C16H18N4O4S
    CROSS REFERENCES
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    canSAR1085838

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 362.10
    AlogP 1.73
    HBond donors 3
    HBond acceptors 8
    Atoms 43
    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 canSAR1085838.