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canSAR35243
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NAMES
    SMILES
    CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)OCC
    InChI
    InChI=1S/C22H30ClN3O2S/c1-5-7-8-9-13-18(21(27)28-6-2)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(3)16(17)4/h10-12,14,18H,5-9,13H2,1-4H3,(H,24,25,26)
    MOLECULAR FORMULA
    C22H30ClN3O2S
    CROSS REFERENCES
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    canSAR35243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.17
    AlogP 6.48
    HBond donors 1
    HBond acceptors 5
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR35243.