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canSAR1964414
FEATURES
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NAMES
    SMILES
    O=C(N[C@@H]1[C@H](SC2CCCCC2)O[C@@H](CO)[C@H](O)[C@H]1O)c1cc(-c2ccc(Cl)cc2)on1
    InChI
    InChI=1S/C22H27ClN2O6S/c23-13-8-6-12(7-9-13)16-10-15(25-31-16)21(29)24-18-20(28)19(27)17(11-26)30-22(18)32-14-4-2-1-3-5-14/h6-10,14,17-20,22,26-28H,1-5,11H2,(H,24,29)/t17-,18-,19-,20-,22-/m0/s1
    MOLECULAR FORMULA
    C22H27ClN2O6S
    CROSS REFERENCES
    1964414 logo

    canSAR1964414

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.13
    AlogP 2.60
    HBond donors 4
    HBond acceptors 8
    Atoms 59
    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 canSAR1964414.