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canSAR644951
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NAMES
    SMILES
    CCN1C=C/C(=C\C=C\c2cc[n+](CC)c3ccccc23)c2ccccc21
    InChI
    InChI=1S/C25H25N2/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25/h5-19H,3-4H2,1-2H3/q+1
    MOLECULAR FORMULA
    C25H25N2+
    CROSS REFERENCES
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    canSAR644951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.20
    AlogP 5.60
    HBond donors 0
    HBond acceptors 2
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR644951.