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canSAR1985146
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(C(C)C(=O)N2CC(C)OC(C)C2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C20H31N3O3.C2H2O4/c1-15-13-23(14-16(2)26-15)20(24)17(3)21-9-11-22(12-10-21)18-7-5-6-8-19(18)25-4;3-1(4)2(5)6/h5-8,15-17H,9-14H2,1-4H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C22H33N3O7
    CROSS REFERENCES
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    canSAR1985146

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.23
    AlogP 1.00
    HBond donors 2
    HBond acceptors 10
    Atoms 65
    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 canSAR1985146.