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canSAR83354
FEATURES
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NAMES
    SMILES
    C[C@@]1(O)CC(=O)OC(CSc2nc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)[nH]2)C1
    InChI
    InChI=1S/C22H20Cl2N2O3S/c1-22(28)10-17(29-18(27)11-22)12-30-21-25-19(13-4-2-6-15(23)8-13)20(26-21)14-5-3-7-16(24)9-14/h2-9,17,28H,10-12H2,1H3,(H,25,26)/t17?,22-/m0/s1
    MOLECULAR FORMULA
    C22H20Cl2N2O3S
    CROSS REFERENCES
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    canSAR83354

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.06
    AlogP 5.60
    HBond donors 2
    HBond acceptors 5
    Atoms 50
    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 canSAR83354.