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canSAR1027588
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NAMES
    SMILES
    COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2ON1c1ccccc1
    InChI
    InChI=1S/C25H20N2O6/c1-32-19-10-6-5-9-18(19)21-20-22(33-27(21)17-7-3-2-4-8-17)24(29)26(23(20)28)16-13-11-15(12-14-16)25(30)31/h2-14,20-22H,1H3,(H,30,31)/t20-,21+,22+/m1/s1
    MOLECULAR FORMULA
    C25H20N2O6
    CROSS REFERENCES
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    canSAR1027588

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.13
    AlogP 3.44
    HBond donors 1
    HBond acceptors 8
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1027588.