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canSAR114818
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N1)c1ccccc1
    InChI
    InChI=1S/C20H21N3O5/c1-13(15-5-3-2-4-6-15)21-19(24)18-12-28-20(25)17(22-18)11-14-7-9-16(10-8-14)23(26)27/h2-10,13,17-18,22H,11-12H2,1H3,(H,21,24)/t13-,17-,18-/m0/s1
    MOLECULAR FORMULA
    C20H21N3O5
    CROSS REFERENCES
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    canSAR114818

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.15
    AlogP 1.90
    HBond donors 2
    HBond acceptors 8
    Atoms 49
    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 canSAR114818.