canSAR2095631
FEATURES
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NAMES
    SMILES
    O=C(O)CCNc1nc(-c2nccs2)cc(N2CCc3ccccc3C2)n1
    InChI
    InChI=1S/C19H19N5O2S/c25-17(26)5-7-21-19-22-15(18-20-8-10-27-18)11-16(23-19)24-9-6-13-3-1-2-4-14(13)12-24/h1-4,8,10-11H,5-7,9,12H2,(H,25,26)(H,21,22,23)
    MOLECULAR FORMULA
    C19H19N5O2S
    CROSS REFERENCES
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    canSAR2095631
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight381.13
    AlogP3.05
    HBond donors2
    HBond acceptors7
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095631.