canSAR2098186
FEATURES
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NAMES
    SMILES
    c1cc(-c2nc(O[C@H]3CCNC3)c3c4c(sc3n2)CCCC4)ccn1
    InChI
    InChI=1S/C19H20N4OS/c1-2-4-15-14(3-1)16-18(24-13-7-10-21-11-13)22-17(23-19(16)25-15)12-5-8-20-9-6-12/h5-6,8-9,13,21H,1-4,7,10-11H2/t13-/m0/s1
    MOLECULAR FORMULA
    C19H20N4OS
    CROSS REFERENCES
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    canSAR2098186
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight352.14
    AlogP3.37
    HBond donors1
    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 canSAR2098186.