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canSAR391064
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NAMES
    SMILES
    CC[C@]12CCCN3[C@@H](OC)C[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32
    InChI
    InChI=1S/C22H27ClN2O3/c1-4-20-10-7-11-25-16(27-2)12-21(18(20)25)14-8-5-6-9-15(14)24-17(21)22(23,13-20)19(26)28-3/h5-6,8-9,16,18H,4,7,10-13H2,1-3H3/t16-,18-,20-,21-,22+/m0/s1
    MOLECULAR FORMULA
    C22H27ClN2O3
    CROSS REFERENCES
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    canSAR391064

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.17
    AlogP 3.80
    HBond donors 0
    HBond acceptors 5
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR391064.