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canSAR498788
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NAMES
    SMILES
    c1ccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(C3CC3)o2)cc1
    InChI
    InChI=1S/C22H21N7O/c1-2-4-17(5-3-1)26-19-18(21-29-28-20(30-21)16-6-7-16)14-25-22(27-19)24-13-10-15-8-11-23-12-9-15/h1-5,8-9,11-12,14,16H,6-7,10,13H2,(H2,24,25,26,27)
    MOLECULAR FORMULA
    C22H21N7O
    CROSS REFERENCES
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    canSAR498788

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.18
    AlogP 4.20
    HBond donors 2
    HBond acceptors 8
    Atoms 51
    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 canSAR498788.