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canSAR12656
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NAMES
    SMILES
    O=C(Nc1ccc(C[C@H](NC(=O)C2(c3ccccc3)CCCC2)C(=O)O)cc1)c1nccc2ccccc12
    InChI
    InChI=1S/C31H29N3O4/c35-28(27-25-11-5-4-8-22(25)16-19-32-27)33-24-14-12-21(13-15-24)20-26(29(36)37)34-30(38)31(17-6-7-18-31)23-9-2-1-3-10-23/h1-5,8-16,19,26H,6-7,17-18,20H2,(H,33,35)(H,34,38)(H,36,37)/t26-/m0/s1
    MOLECULAR FORMULA
    C31H29N3O4
    CROSS REFERENCES
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    canSAR12656

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.22
    AlogP 5.11
    HBond donors 3
    HBond acceptors 7
    Atoms 67
    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 canSAR12656.