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canSAR1972390
FEATURES
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NAMES
    SMILES
    CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN[C@H](C)C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1
    InChI
    InChI=1S/C26H36N2O5S/c1-5-7-13-26(6-2)17-34(31,32)23-14-20(16-27-18(3)25(29)30)22(33-4)15-21(23)24(28-26)19-11-9-8-10-12-19/h8-12,14-15,18,24,27-28H,5-7,13,16-17H2,1-4H3,(H,29,30)/t18-,24-,26-/m1/s1
    MOLECULAR FORMULA
    C26H36N2O5S
    CROSS REFERENCES
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    canSAR1972390

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.23
    AlogP 4.06
    HBond donors 3
    HBond acceptors 7
    Atoms 70
    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 canSAR1972390.