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canSAR1012752
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NAMES
    SMILES
    O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1)c1ccccc1
    InChI
    InChI=1S/C29H28ClN3O4/c30-23-10-6-20(7-11-23)18-32(24-14-15-24)28(35)26-16-31-17-27(34)33(26)25-12-8-21(9-13-25)19-37-29(36)22-4-2-1-3-5-22/h1-13,24,26,31H,14-19H2/t26-/m1/s1
    MOLECULAR FORMULA
    C29H28ClN3O4
    CROSS REFERENCES
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    canSAR1012752

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.18
    AlogP 4.19
    HBond donors 1
    HBond acceptors 7
    Atoms 65
    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 canSAR1012752.