canSAR2062678
FEATURES
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NAMES
    SMILES
    Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(CO)c2)n1
    InChI
    InChI=1S/C22H22ClN3O/c1-14-24-21(16-9-10-19(23)17(11-16)13-27)12-22(25-14)26-20-8-4-6-15-5-2-3-7-18(15)20/h2-3,5,7,9-12,20,27H,4,6,8,13H2,1H3,(H,24,25,26)/t20-/m1/s1
    MOLECULAR FORMULA
    C22H22ClN3O
    CROSS REFERENCES
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    canSAR2062678
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight379.15
    AlogP5.09
    HBond donors2
    HBond acceptors4
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062678.