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canSAR1012806
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NAMES
    SMILES
    O=C(COc1ccccc1Br)c1ccc(NCCn2ccnc2)nc1
    InChI
    InChI=1S/C18H17BrN4O2/c19-15-3-1-2-4-17(15)25-12-16(24)14-5-6-18(22-11-14)21-8-10-23-9-7-20-13-23/h1-7,9,11,13H,8,10,12H2,(H,21,22)
    MOLECULAR FORMULA
    C18H17BrN4O2
    CROSS REFERENCES
    1012806 logo

    canSAR1012806

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.05
    AlogP 3.41
    HBond donors 1
    HBond acceptors 6
    Atoms 42
    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 canSAR1012806.