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canSAR2051627
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NAMES
    SMILES
    O=[N+]([O-])c1ccc(-n2cc(CN3CCN(c4noc5cc(Cl)ccc45)CC3)nn2)cc1
    InChI
    InChI=1S/C20H18ClN7O3/c21-14-1-6-18-19(11-14)31-23-20(18)26-9-7-25(8-10-26)12-15-13-27(24-22-15)16-2-4-17(5-3-16)28(29)30/h1-6,11,13H,7-10,12H2
    MOLECULAR FORMULA
    C20H18ClN7O3
    CROSS REFERENCES
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    canSAR2051627

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.12
    AlogP 3.29
    HBond donors 0
    HBond acceptors 10
    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 canSAR2051627.