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canSAR1154663
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NAMES
    SMILES
    COc1ccc(CSc2nc(C(C#N)c3c(F)cccc3Cl)c(C)c(=O)[nH]2)cc1
    InChI
    InChI=1S/C21H17ClFN3O2S/c1-12-19(15(10-24)18-16(22)4-3-5-17(18)23)25-21(26-20(12)27)29-11-13-6-8-14(28-2)9-7-13/h3-9,15H,11H2,1-2H3,(H,25,26,27)
    MOLECULAR FORMULA
    C21H17ClFN3O2S
    CROSS REFERENCES
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    canSAR1154663

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.07
    AlogP 4.83
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1154663.