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canSAR1068257
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NAMES
    SMILES
    CCOC(=O)C1CCCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)C1
    InChI
    InChI=1S/C25H25N3O6/c1-2-33-25(32)14-6-5-11-28(13-14)18-12-17(26-10-9-19(29)30)20-21-22(18)27-34-24(21)16-8-4-3-7-15(16)23(20)31/h3-4,7-8,12,14,26H,2,5-6,9-11,13H2,1H3,(H,29,30)
    MOLECULAR FORMULA
    C25H25N3O6
    CROSS REFERENCES
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    canSAR1068257

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.17
    AlogP 3.71
    HBond donors 2
    HBond acceptors 9
    Atoms 59
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1068257.