1588814 logo
canSAR1588814
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1C(=O)/C(=N\N=C(\Nc2ccccn2)c2ccccn2)c2cc(Br)ccc21
    InChI
    InChI=1S/C20H15BrN6O/c1-27-16-9-8-13(21)12-14(16)18(20(27)28)25-26-19(15-6-2-4-10-22-15)24-17-7-3-5-11-23-17/h2-12H,1H3,(H,23,24,26)/b25-18-
    MOLECULAR FORMULA
    C20H15BrN6O
    CROSS REFERENCES
    1588814 logo

    canSAR1588814

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.05
    AlogP 3.48
    HBond donors 1
    HBond acceptors 7
    Atoms 43
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1588814.