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canSAR1634449
FEATURES
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NAMES
    SMILES
    O=C(N1CCCCC1)[C@@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1
    InChI
    InChI=1S/C32H36N2O6S/c35-22-10-23-39-27-17-15-26(16-18-27)30-33-32(31(36)34-20-8-3-9-21-34,29(40-30)25-11-4-1-5-12-25)19-24-41(37,38)28-13-6-2-7-14-28/h1-2,4-7,11-18,29,35H,3,8-10,19-24H2/t29-,32-/m0/s1
    MOLECULAR FORMULA
    C32H36N2O6S
    CROSS REFERENCES
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    canSAR1634449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.23
    AlogP 4.58
    HBond donors 1
    HBond acceptors 8
    Atoms 77
    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 canSAR1634449.