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canSAR2084744
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NAMES
    SMILES
    CC(C)C[C@H](N)C(=O)NCCCCS(=O)(=O)Oc1ccc(Cl)c2cccnc12
    InChI
    InChI=1S/C19H26ClN3O4S/c1-13(2)12-16(21)19(24)23-9-3-4-11-28(25,26)27-17-8-7-15(20)14-6-5-10-22-18(14)17/h5-8,10,13,16H,3-4,9,11-12,21H2,1-2H3,(H,23,24)/t16-/m0/s1
    MOLECULAR FORMULA
    C19H26ClN3O4S
    CROSS REFERENCES
    2084744 logo

    canSAR2084744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.13
    AlogP 2.87
    HBond donors 3
    HBond acceptors 7
    Atoms 54
    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 canSAR2084744.