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canSAR5029
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NAMES
    SMILES
    C=Cc1c(Br)cc2nc(O)c(O)nc2c1CN(C)CC(=O)O
    InChI
    InChI=1S/C14H14BrN3O4/c1-3-7-8(5-18(2)6-11(19)20)12-10(4-9(7)15)16-13(21)14(22)17-12/h3-4H,1,5-6H2,2H3,(H,16,21)(H,17,22)(H,19,20)
    MOLECULAR FORMULA
    C14H14BrN3O4
    CROSS REFERENCES
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    canSAR5029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.02
    AlogP 1.96
    HBond donors 3
    HBond acceptors 7
    Atoms 36
    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 canSAR5029.