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canSAR1402316
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NAMES
    SMILES
    CCOP(=O)(OCC)C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1
    InChI
    InChI=1S/C19H26N3O5P/c1-5-26-28(25,27-6-2)19(15-10-12-17(13-11-15)21(3)4)20-16-8-7-9-18(14-16)22(23)24/h7-14,19-20H,5-6H2,1-4H3
    MOLECULAR FORMULA
    C19H26N3O5P
    CROSS REFERENCES
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    canSAR1402316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.16
    AlogP 5.04
    HBond donors 1
    HBond acceptors 8
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1402316.