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canSAR1131022
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NAMES
    SMILES
    CC1CCCN1C1CCN(c2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1
    InChI
    InChI=1S/C28H32N4O2/c1-21-6-5-18-32(21)25-17-19-31(20-25)24-13-9-22(10-14-24)29-28(33)30-23-11-15-27(16-12-23)34-26-7-3-2-4-8-26/h2-4,7-16,21,25H,5-6,17-20H2,1H3,(H2,29,30,33)
    MOLECULAR FORMULA
    C28H32N4O2
    CROSS REFERENCES
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    canSAR1131022

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.25
    AlogP 6.19
    HBond donors 2
    HBond acceptors 6
    Atoms 66
    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 canSAR1131022.