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canSAR1067628
FEATURES
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NAMES
    SMILES
    COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccccc3)CC2)cc1
    InChI
    InChI=1S/C21H27N3O3/c1-26-19-9-7-18(8-10-19)24-15-13-23(14-16-24)12-11-20(27-21(22)25)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,22,25)/t20-/m1/s1
    MOLECULAR FORMULA
    C21H27N3O3
    CROSS REFERENCES
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    canSAR1067628

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.21
    AlogP 3.04
    HBond donors 2
    HBond acceptors 6
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1067628.