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canSAR549998
FEATURES
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NAMES
    SMILES
    Cc1cc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)no1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C13H11ClN4O5S2.C2HF3O2/c1-6-5-9(17-22-6)15-12(19)11-8(3-4-24-11)25(20,21)18-13-10(14)7(2)16-23-13;3-2(4,5)1(6)7/h3-5,18H,1-2H3,(H,15,17,19);(H,6,7)
    MOLECULAR FORMULA
    C15H12ClF3N4O7S2
    CROSS REFERENCES
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    canSAR549998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.98
    AlogP 3.68
    HBond donors 3
    HBond acceptors 11
    Atoms 44
    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 canSAR549998.