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canSAR560163
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)O.CS(=O)(=O)O.Cc1cc(OC[C@@H](O)CN2CCN(c3ccc(Cc4ccc(F)cc4)cc3)CC2)c(C)c(C)c1N
    InChI
    InChI=1S/C29H36FN3O2.2CH4O3S/c1-20-16-28(21(2)22(3)29(20)31)35-19-27(34)18-32-12-14-33(15-13-32)26-10-6-24(7-11-26)17-23-4-8-25(30)9-5-23;2*1-5(2,3)4/h4-11,16,27,34H,12-15,17-19,31H2,1-3H3;2*1H3,(H,2,3,4)/t27-;;/m0../s1
    MOLECULAR FORMULA
    C31H44FN3O8S2
    CROSS REFERENCES
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    canSAR560163

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 669.26
    AlogP 3.49
    HBond donors 5
    HBond acceptors 11
    Atoms 89
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR560163.