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canSAR2083569
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NAMES
    SMILES
    Cc1ccc([C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c2c1O[C@@H]1[C@H]2[C@H]1C(=O)O
    InChI
    InChI=1S/C30H35NO5/c1-17-9-12-23(24-25-26(29(33)34)28(25)36-27(17)24)18(2)35-16-22(32)15-31-30(3,4)14-19-10-11-20-7-5-6-8-21(20)13-19/h5-13,18,22,25-26,28,31-32H,14-16H2,1-4H3,(H,33,34)/t18-,22-,25-,26-,28-/m1/s1
    MOLECULAR FORMULA
    C30H35NO5
    CROSS REFERENCES
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    canSAR2083569

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.25
    AlogP 4.76
    HBond donors 3
    HBond acceptors 6
    Atoms 71
    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 canSAR2083569.