canSAR1387789
FEATURES
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NAMES
    SMILES
    Cc1cc(C)cc(CN2CCC3(CC2)CC(Nc2ncccn2)CO3)c1
    InChI
    InChI=1S/C21H28N4O/c1-16-10-17(2)12-18(11-16)14-25-8-4-21(5-9-25)13-19(15-26-21)24-20-22-6-3-7-23-20/h3,6-7,10-12,19H,4-5,8-9,13-15H2,1-2H3,(H,22,23,24)
    MOLECULAR FORMULA
    C21H28N4O
    CROSS REFERENCES
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    canSAR1387789
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight352.23
    AlogP3.33
    HBond donors1
    HBond acceptors5
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387789.