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canSAR1633298
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NAMES
    SMILES
    COc1ccc(N2CCN(Cc3c(C(C)=O)[n+]([O-])c4ccccc4[n+]3[O-])CC2)cc1
    InChI
    InChI=1S/C22H24N4O4/c1-16(27)22-21(25(28)19-5-3-4-6-20(19)26(22)29)15-23-11-13-24(14-12-23)17-7-9-18(30-2)10-8-17/h3-10H,11-15H2,1-2H3
    MOLECULAR FORMULA
    C22H24N4O4
    CROSS REFERENCES
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    canSAR1633298

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.18
    AlogP 1.64
    HBond donors 0
    HBond acceptors 8
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1633298.