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canSAR548616
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NAMES
    SMILES
    c1ccc(Cn2cc[n+]3c2C2c4ccccc4C3CC2(c2ccoc2)c2ccoc2)cc1
    InChI
    InChI=1S/C28H23N2O2/c1-2-6-20(7-3-1)17-29-12-13-30-25-16-28(21-10-14-31-18-21,22-11-15-32-19-22)26(27(29)30)24-9-5-4-8-23(24)25/h1-15,18-19,25-26H,16-17H2/q+1
    MOLECULAR FORMULA
    C28H23N2O2+
    CROSS REFERENCES
    548616 logo

    canSAR548616

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.18
    AlogP 5.43
    HBond donors 0
    HBond acceptors 4
    Atoms 55
    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 canSAR548616.