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canSAR2000294
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NAMES
    SMILES
    COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2-c2ccccc2CC3)cc1
    InChI
    InChI=1S/C25H23N2O2/c1-28-21-12-7-19(8-13-21)24-17-26(20-10-14-22(29-2)15-11-20)25-16-9-18-5-3-4-6-23(18)27(24)25/h3-8,10-15,17H,9,16H2,1-2H3/q+1
    MOLECULAR FORMULA
    C25H23N2O2+
    CROSS REFERENCES
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    canSAR2000294

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.18
    AlogP 4.54
    HBond donors 0
    HBond acceptors 4
    Atoms 52
    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 canSAR2000294.