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canSAR112231
FEATURES
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NAMES
    SMILES
    Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)O)cc1
    InChI
    InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)/t28-/m0/s1
    MOLECULAR FORMULA
    C28H27NO5
    CROSS REFERENCES
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    canSAR112231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.19
    AlogP 5.74
    HBond donors 1
    HBond acceptors 6
    Atoms 61
    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 canSAR112231.