canSAR2095921
FEATURES
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NAMES
    SMILES
    O=C(NCCCCCCS)c1cc(-c2cccc3ccccc23)n[nH]1
    InChI
    InChI=1S/C20H23N3OS/c24-20(21-12-5-1-2-6-13-25)19-14-18(22-23-19)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,14,25H,1-2,5-6,12-13H2,(H,21,24)(H,22,23)
    MOLECULAR FORMULA
    C20H23N3OS
    CROSS REFERENCES
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    canSAR2095921
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight353.16
    AlogP4.45
    HBond donors2
    HBond acceptors4
    Atoms48
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095921.