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canSAR925781
FEATURES
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NAMES
    SMILES
    O=C1c2ccccc2[C@@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C26H23ClN2O5/c27-20-9-7-19(8-10-20)26(34-17-25(16-30)13-14-25)23-4-2-1-3-22(23)24(31)28(26)15-18-5-11-21(12-6-18)29(32)33/h1-12,30H,13-17H2/t26-/m0/s1
    MOLECULAR FORMULA
    C26H23ClN2O5
    CROSS REFERENCES
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    canSAR925781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.13
    AlogP 4.89
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    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 canSAR925781.