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canSAR1014100
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NAMES
    SMILES
    CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)c(C(=O)OC)c1
    InChI
    InChI=1S/C22H20N2O6/c1-3-18(25)17(12-23)21(26)24-14-5-6-15(16(11-14)22(27)28-2)13-4-7-19-20(10-13)30-9-8-29-19/h4-7,10-11,25H,3,8-9H2,1-2H3,(H,24,26)/b18-17-
    MOLECULAR FORMULA
    C22H20N2O6
    CROSS REFERENCES
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    canSAR1014100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.13
    AlogP 3.60
    HBond donors 2
    HBond acceptors 8
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1014100.