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canSAR1121210
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NAMES
    SMILES
    Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
    InChI
    InChI=1S/C20H14Cl2N4O2S/c1-11-15(22)3-2-4-16(11)24-17(27)10-29-20-25-18(14(9-23)19(28)26-20)12-5-7-13(21)8-6-12/h2-8H,10H2,1H3,(H,24,27)(H,25,26,28)
    MOLECULAR FORMULA
    C20H14Cl2N4O2S
    CROSS REFERENCES
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    canSAR1121210

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.02
    AlogP 4.65
    HBond donors 2
    HBond acceptors 6
    Atoms 43
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1121210.