canSAR861633
FEATURES
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NAMES
    SMILES
    Cc1ccc(-c2nn(-c3ccccc3)cc2C2N[C@H](C(=O)O)CS2)cc1
    InChI
    InChI=1S/C20H19N3O2S/c1-13-7-9-14(10-8-13)18-16(19-21-17(12-26-19)20(24)25)11-23(22-18)15-5-3-2-4-6-15/h2-11,17,19,21H,12H2,1H3,(H,24,25)/t17-,19?/m0/s1
    MOLECULAR FORMULA
    C20H19N3O2S
    CROSS REFERENCES
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    canSAR861633
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight365.12
    AlogP3.64
    HBond donors2
    HBond acceptors5
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR861633.