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canSAR548718
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NAMES
    SMILES
    c1ccc2c(c1)N=C(NCCCCCN1CCN(c3ccc4ccccc4n3)CC1)CO2
    InChI
    InChI=1S/C26H31N5O/c1(6-14-27-25-20-32-24-11-5-4-10-23(24)28-25)7-15-30-16-18-31(19-17-30)26-13-12-21-8-2-3-9-22(21)29-26/h2-5,8-13H,1,6-7,14-20H2,(H,27,28)
    MOLECULAR FORMULA
    C26H31N5O
    CROSS REFERENCES
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    canSAR548718

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.25
    AlogP 4.24
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR548718.