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canSAR1620927
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NAMES
    SMILES
    CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2
    InChI
    InChI=1S/C21H22N4O3S/c1-2-25-19(12-15-6-4-3-5-7-15)23-24-21(25)29-14-20(26)22-16-8-9-17-18(13-16)28-11-10-27-17/h3-9,13H,2,10-12,14H2,1H3,(H,22,26)
    MOLECULAR FORMULA
    C21H22N4O3S
    CROSS REFERENCES
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    canSAR1620927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.14
    AlogP 3.39
    HBond donors 1
    HBond acceptors 7
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620927.