canSAR1773878
FEATURES
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NAMES
    SMILES
    C=CCn1c(S)nnc1C(CCCC)CC(O)COCC(C)C
    InChI
    InChI=1S/C17H31N3O2S/c1-5-7-8-14(10-15(21)12-22-11-13(3)4)16-18-19-17(23)20(16)9-6-2/h6,13-15,21H,2,5,7-12H2,1,3-4H3,(H,19,23)
    MOLECULAR FORMULA
    C17H31N3O2S
    CROSS REFERENCES
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    canSAR1773878
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight341.21
    AlogP3.45
    HBond donors1
    HBond acceptors5
    Atoms54
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1773878.