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canSAR1271425
FEATURES
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NAMES
    SMILES
    CC(C)(C(=O)NCc1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1
    InChI
    InChI=1S/C21H22N2O5S2/c1-21(2,17-7-11-19(12-8-17)30(27,28)14-4-13-22)20(24)23-15-16-5-9-18(10-6-16)29(3,25)26/h4-12,14H,15H2,1-3H3,(H,23,24)/b14-4+
    MOLECULAR FORMULA
    C21H22N2O5S2
    CROSS REFERENCES
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    canSAR1271425

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.10
    AlogP 2.50
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1271425.