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canSAR1066532
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NAMES
    SMILES
    Cc1nn(-c2ccccc2)c(Oc2c(Cl)cccc2Cl)c1/C=C1\SC(=S)N([C@@H](Cc2ccc(O)cc2)C(=O)O)C1=O
    InChI
    InChI=1S/C29H21Cl2N3O5S2/c1-16-20(27(34(32-16)18-6-3-2-4-7-18)39-25-21(30)8-5-9-22(25)31)15-24-26(36)33(29(40)41-24)23(28(37)38)14-17-10-12-19(35)13-11-17/h2-13,15,23,35H,14H2,1H3,(H,37,38)/b24-15-/t23-/m0/s1
    MOLECULAR FORMULA
    C29H21Cl2N3O5S2
    CROSS REFERENCES
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    canSAR1066532

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 625.03
    AlogP 6.88
    HBond donors 2
    HBond acceptors 8
    Atoms 62
    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 canSAR1066532.