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canSAR3870
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NAMES
    SMILES
    C[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1
    InChI
    InChI=1S/C21H21N3O4/c1-12(13-8-5-4-6-9-13)22-16-17(20(27)19(16)26)23-15-11-7-10-14(18(15)25)21(28)24(2)3/h4-12,22-23,25H,1-3H3/t12-/m0/s1
    MOLECULAR FORMULA
    C21H21N3O4
    CROSS REFERENCES
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    canSAR3870

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.15
    AlogP 2.61
    HBond donors 3
    HBond acceptors 7
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR3870.