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canSAR786296
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4cc(C[n+]5ccc(N)cc5)ccc4c3)C[C@H]12
    InChI
    InChI=1S/C25H23N3O4/c1-14(29)22-21-12-20(23(25(31)32)28(21)24(22)30)18-5-4-16-10-15(2-3-17(16)11-18)13-27-8-6-19(26)7-9-27/h2-11,14,21-22,26,29H,12-13H2,1H3,(H,31,32)/t14-,21-,22-/m1/s1
    MOLECULAR FORMULA
    C25H23N3O4
    CROSS REFERENCES
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    canSAR786296

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.17
    AlogP 0.83
    HBond donors 3
    HBond acceptors 7
    Atoms 55
    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 canSAR786296.