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canSAR1066522
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NAMES
    SMILES
    CC(=O)N[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O
    InChI
    InChI=1S/C18H22N2O4/c1-13(21)19-15-10-6-3-7-11-17(22)20-16(12-24-18(15)23)14-8-4-2-5-9-14/h2-6,8-9,15-16H,7,10-12H2,1H3,(H,19,21)(H,20,22)/b6-3+/t15-,16+/m1/s1
    MOLECULAR FORMULA
    C18H22N2O4
    CROSS REFERENCES
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    canSAR1066522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.16
    AlogP 1.63
    HBond donors 2
    HBond acceptors 6
    Atoms 46
    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 canSAR1066522.