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canSAR1152361
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NAMES
    SMILES
    CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1
    InChI
    InChI=1S/C22H20ClF3N4O2S2/c1-3-32-19(31)17-11(2)27-20(33)30-18(17)12-4-7-14(8-5-12)28-21(34)29-16-9-6-13(10-15(16)23)22(24,25)26/h4-10,18H,3H2,1-2H3,(H2,27,30,33)(H2,28,29,34)
    MOLECULAR FORMULA
    C22H20ClF3N4O2S2
    CROSS REFERENCES
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    canSAR1152361

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.07
    AlogP 5.52
    HBond donors 4
    HBond acceptors 6
    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 canSAR1152361.