canSAR2198185
FEATURES
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NAMES
    SMILES
    CC(O)C#CC#Cc1ccc(C2=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C2)cc1
    InChI
    InChI=1S/C20H22N2O6S/c1-14(23)6-4-5-7-15-8-10-16(11-9-15)18-12-17(28-22-18)13-20(2,19(24)21-25)29(3,26)27/h8-11,14,17,23,25H,12-13H2,1-3H3,(H,21,24)/t14?,17-,20-/m1/s1
    MOLECULAR FORMULA
    C20H22N2O6S
    CROSS REFERENCES
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    canSAR2198185
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight418.12
    AlogP0.61
    HBond donors3
    HBond acceptors8
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2198185.