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canSAR2052248
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C31H34N2O6/c1-31(2,3)39-30(37)33-20-25(38-24-16-14-23(15-17-24)22-12-8-5-9-13-22)19-27(33)28(34)32-26(29(35)36)18-21-10-6-4-7-11-21/h4-17,25-27H,18-20H2,1-3H3,(H,32,34)(H,35,36)/t25-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C31H34N2O6
    CROSS REFERENCES
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    canSAR2052248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.24
    AlogP 4.92
    HBond donors 2
    HBond acceptors 8
    Atoms 73
    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 canSAR2052248.