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canSAR564449
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NAMES
    SMILES
    O=C(O)[C@@]1(N(CCc2ccccn2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1
    InChI
    InChI=1S/C29H25ClN2O4S/c30-24-13-9-21(10-14-24)22-11-15-26(16-12-22)37(35,36)32(19-17-25-8-4-5-18-31-25)29(28(33)34)20-27(29)23-6-2-1-3-7-23/h1-16,18,27H,17,19-20H2,(H,33,34)/t27-,29+/m0/s1
    MOLECULAR FORMULA
    C29H25ClN2O4S
    CROSS REFERENCES
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    canSAR564449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.12
    AlogP 5.65
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    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 canSAR564449.