canSAR1587005
FEATURES
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NAMES
    SMILES
    C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
    InChI
    InChI=1S/C30H34Cl3N3O5S/c1-19-15-36(20(2)18-37)30(38)14-22-13-24(34-42(39,40)25-8-5-23(31)6-9-25)7-11-28(22)41-29(19)17-35(3)16-21-4-10-26(32)27(33)12-21/h4-13,19-20,29,34,37H,14-18H2,1-3H3/t19-,20-,29-/m1/s1
    MOLECULAR FORMULA
    C30H34Cl3N3O5S
    CROSS REFERENCES
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    canSAR1587005
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight653.13
    AlogP5.73
    HBond donors2
    HBond acceptors8
    Atoms76
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1587005.