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canSAR649831
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NAMES
    SMILES
    COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC(=O)NO
    InChI
    InChI=1S/C18H16ClFN4O4/c1-27-15-8-14-11(7-16(15)28-5-4-17(25)24-26)18(22-9-21-14)23-10-2-3-13(20)12(19)6-10/h2-3,6-9,26H,4-5H2,1H3,(H,24,25)(H,21,22,23)
    MOLECULAR FORMULA
    C18H16ClFN4O4
    CROSS REFERENCES
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    canSAR649831

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.08
    AlogP 3.45
    HBond donors 3
    HBond acceptors 8
    Atoms 44
    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 canSAR649831.