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canSAR126695
FEATURES
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NAMES
    SMILES
    CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CNC(=O)c3cc(Cl)c(O)c(O)c3Cl)CS[C@H]12)c1csc(N)n1)C(=O)O
    InChI
    InChI=1S/C24H22Cl2N6O10S2/c1-24(2,22(40)41)42-31-12(10-6-44-23(27)29-10)18(36)30-13-19(37)32-14(21(38)39)7(5-43-20(13)32)4-28-17(35)8-3-9(25)15(33)16(34)11(8)26/h3,6,13,20,33-34H,4-5H2,1-2H3,(H2,27,29)(H,28,35)(H,30,36)(H,38,39)(H,40,41)/b31-12-/t13-,20-/m1/s1
    MOLECULAR FORMULA
    C24H22Cl2N6O10S2
    CROSS REFERENCES
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    canSAR126695

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 688.02
    AlogP 1.20
    HBond donors 8
    HBond acceptors 16
    Atoms 66
    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 canSAR126695.