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canSAR1443111
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NAMES
    SMILES
    COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cn1
    InChI
    InChI=1S/C25H24N4O2S/c1-25(2,3)23-20-21(27-28-23)24(30)29(22(20)16-8-5-6-9-17(16)31-4)19-12-11-15(14-26-19)18-10-7-13-32-18/h5-14,22H,1-4H3,(H,27,28)
    MOLECULAR FORMULA
    C25H24N4O2S
    CROSS REFERENCES
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    canSAR1443111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.16
    AlogP 5.59
    HBond donors 1
    HBond acceptors 6
    Atoms 56
    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 canSAR1443111.