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canSAR1970887
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NAMES
    SMILES
    CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(Br)cn3)C2)cc1
    InChI
    InChI=1S/C18H20BrN3O2/c1-12(21-13(2)23)14-3-6-16(7-4-14)24-17-10-22(11-17)18-8-5-15(19)9-20-18/h3-9,12,17H,10-11H2,1-2H3,(H,21,23)/t12-/m0/s1
    MOLECULAR FORMULA
    C18H20BrN3O2
    CROSS REFERENCES
    1970887 logo

    canSAR1970887

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.07
    AlogP 3.31
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    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 canSAR1970887.