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canSAR673479
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NAMES
    SMILES
    Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2
    InChI
    InChI=1S/C33H33Cl2N7O6S/c34-21-7-2-17(12-22(21)35)27(44)25-20-8-10-41(13-24(20)49-30(25)36)9-1-11-47-19-5-3-18(4-6-19)40-31-26-32(38-15-37-31)42(16-39-26)33-29(46)28(45)23(14-43)48-33/h2-7,12,15-16,23,28-29,33,43,45-46H,1,8-11,13-14,36H2,(H,37,38,40)/t23-,28-,29-,33-/m1/s1
    MOLECULAR FORMULA
    C33H33Cl2N7O6S
    CROSS REFERENCES
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    canSAR673479

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 725.16
    AlogP 4.19
    HBond donors 6
    HBond acceptors 13
    Atoms 82
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR673479.