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canSAR782911
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NAMES
    SMILES
    COc1cc2c(cc1OCc1ccccc1)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@@H]1CCCN1C2=O
    InChI
    InChI=1S/C28H27N3O8/c1-37-24-14-21-23(15-25(24)38-16-18-6-3-2-4-7-18)30(27(33)22-8-5-13-29(22)26(21)32)28(34)39-17-19-9-11-20(12-10-19)31(35)36/h2-4,6-7,9-12,14-15,22,27,33H,5,8,13,16-17H2,1H3/t22-,27-/m0/s1
    MOLECULAR FORMULA
    C28H27N3O8
    CROSS REFERENCES
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    canSAR782911

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.18
    AlogP 4.26
    HBond donors 1
    HBond acceptors 11
    Atoms 66
    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 canSAR782911.