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canSAR1686997
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NAMES
    SMILES
    NC(=O)[C@@H]1CC2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)COc1ccc(Cl)cc1
    InChI
    InChI=1S/C36H33ClN4O5/c37-27-14-16-29(17-15-27)45-22-34(43)41-23-36(21-32(41)35(38)44)20-31(40-46-36)26-12-7-13-28(18-26)39-33(42)19-30(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-18,30,32H,19-23H2,(H2,38,44)(H,39,42)/t32-,36?/m0/s1
    MOLECULAR FORMULA
    C36H33ClN4O5
    CROSS REFERENCES
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    canSAR1686997

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 636.21
    AlogP 5.53
    HBond donors 3
    HBond acceptors 9
    Atoms 79
    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 canSAR1686997.