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canSAR1690099
FEATURES
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NAMES
    SMILES
    Cc1cc(C(=O)NCC(=O)OCC(=O)NCCc2ccccc2)ccc1[N+](=O)[O-]
    InChI
    InChI=1S/C20H21N3O6/c1-14-11-16(7-8-17(14)23(27)28)20(26)22-12-19(25)29-13-18(24)21-10-9-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)(H,22,26)
    MOLECULAR FORMULA
    C20H21N3O6
    CROSS REFERENCES
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    canSAR1690099

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.14
    AlogP 1.54
    HBond donors 2
    HBond acceptors 9
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1690099.