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canSAR653220
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NAMES
    SMILES
    O=C(CCc1ccccc1)N1CCc2c([nH]c3ccccc23)C1COCc1ccccc1
    InChI
    InChI=1S/C28H28N2O2/c31-27(16-15-21-9-3-1-4-10-21)30-18-17-24-23-13-7-8-14-25(23)29-28(24)26(30)20-32-19-22-11-5-2-6-12-22/h1-14,26,29H,15-20H2
    MOLECULAR FORMULA
    C28H28N2O2
    CROSS REFERENCES
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    canSAR653220

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.22
    AlogP 5.44
    HBond donors 1
    HBond acceptors 4
    Atoms 60
    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 canSAR653220.