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canSAR1113018
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NAMES
    SMILES
    CC(=O)Oc1ccc(CN2CCc3c(sc(NC(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)c3C#N)C2)cc1OC(C)=O
    InChI
    InChI=1S/C30H28Cl2N4O8S2/c1-17(37)43-25-4-3-19(11-26(25)44-18(2)38)15-35-6-5-20-22(14-33)30(45-27(20)16-35)34-29(39)21-12-28(24(32)13-23(21)31)46(40,41)36-7-9-42-10-8-36/h3-4,11-13H,5-10,15-16H2,1-2H3,(H,34,39)
    MOLECULAR FORMULA
    C30H28Cl2N4O8S2
    CROSS REFERENCES
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    canSAR1113018

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 706.07
    AlogP 4.61
    HBond donors 1
    HBond acceptors 12
    Atoms 74
    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 canSAR1113018.