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canSAR1638219
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NAMES
    SMILES
    C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
    InChI
    InChI=1S/C32H41N3O3/c1-23-19-35(24(2)22-36)32(37)18-28-17-29(33(3)4)15-16-30(28)38-31(23)21-34(5)20-25-11-13-27(14-12-25)26-9-7-6-8-10-26/h6-17,23-24,31,36H,18-22H2,1-5H3/t23-,24-,31-/m1/s1
    MOLECULAR FORMULA
    C32H41N3O3
    CROSS REFERENCES
    1638219 logo

    canSAR1638219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.31
    AlogP 4.70
    HBond donors 1
    HBond acceptors 6
    Atoms 79
    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 canSAR1638219.