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canSAR1151075
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NAMES
    SMILES
    CCc1c(C(C#N)c2ccccc2Cl)nc(SCc2ccc(OC)cc2)[nH]c1=O
    InChI
    InChI=1S/C22H20ClN3O2S/c1-3-16-20(18(12-24)17-6-4-5-7-19(17)23)25-22(26-21(16)27)29-13-14-8-10-15(28-2)11-9-14/h4-11,18H,3,13H2,1-2H3,(H,25,26,27)
    MOLECULAR FORMULA
    C22H20ClN3O2S
    CROSS REFERENCES
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    canSAR1151075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.10
    AlogP 4.94
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    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 canSAR1151075.