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canSAR1154218
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NAMES
    SMILES
    O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1
    InChI
    InChI=1S/C22H25ClN2O3/c23-17-9-7-15(8-10-17)18-11-16(12-24-22(18)28-13-14-5-6-14)21(27)25-19-3-1-2-4-20(19)26/h7-12,14,19-20,26H,1-6,13H2,(H,25,27)/t19-,20-/m1/s1
    MOLECULAR FORMULA
    C22H25ClN2O3
    CROSS REFERENCES
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    canSAR1154218

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.16
    AlogP 4.22
    HBond donors 2
    HBond acceptors 5
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1154218.