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canSAR548167
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NAMES
    SMILES
    Oc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(SCCN2CCCC2)cc1
    InChI
    InChI=1S/C27H29NO2S/c29-22-10-13-24-26(18-22)30-19-25(20-6-2-1-3-7-20)27(24)21-8-11-23(12-9-21)31-17-16-28-14-4-5-15-28/h1-3,6-13,18,25,27,29H,4-5,14-17,19H2/t25-,27-/m1/s1
    MOLECULAR FORMULA
    C27H29NO2S
    CROSS REFERENCES
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    canSAR548167

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.19
    AlogP 5.89
    HBond donors 1
    HBond acceptors 3
    Atoms 60
    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 canSAR548167.