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canSAR1495951
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NAMES
    SMILES
    Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CCN4C(=O)C3CC3)cc12
    InChI
    InChI=1S/C25H28N4O2S/c1-15-20-14-22(32-25(20)29(27-15)19-5-3-2-4-6-19)23(30)26-18-9-10-21-17(13-18)11-12-28(21)24(31)16-7-8-16/h9-10,13-14,16,19H,2-8,11-12H2,1H3,(H,26,30)
    MOLECULAR FORMULA
    C25H28N4O2S
    CROSS REFERENCES
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    canSAR1495951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.19
    AlogP 5.46
    HBond donors 1
    HBond acceptors 6
    Atoms 60
    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 canSAR1495951.