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canSAR350434
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NAMES
    SMILES
    NC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(Br)c2)C2=NCCCN12
    InChI
    InChI=1S/C19H16BrF3N4O/c20-14-4-1-3-13(11-14)18(16-25-9-2-10-27(16)17(24)26-18)12-5-7-15(8-6-12)28-19(21,22)23/h1,3-8,11H,2,9-10H2,(H2,24,26)
    MOLECULAR FORMULA
    C19H16BrF3N4O
    CROSS REFERENCES
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    canSAR350434

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.05
    AlogP 4.02
    HBond donors 2
    HBond acceptors 5
    Atoms 44
    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 canSAR350434.