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canSAR1092152
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4cccc(C[n+]5ccccc5N)c4c3)C[C@H]12
    InChI
    InChI=1S/C25H23N3O4/c1-14(29)22-20-12-19(23(25(31)32)28(20)24(22)30)16-9-8-15-5-4-6-17(18(15)11-16)13-27-10-3-2-7-21(27)26/h2-11,14,20,22,26,29H,12-13H2,1H3,(H,31,32)/t14-,20-,22-/m1/s1
    MOLECULAR FORMULA
    C25H23N3O4
    CROSS REFERENCES
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    canSAR1092152

    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 canSAR1092152.