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canSAR1727417
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NAMES
    SMILES
    Brc1ccc(Nc2ccc([C@@H]3CNCCO3)cn2)nc1
    InChI
    InChI=1S/C14H15BrN4O/c15-11-2-4-14(18-8-11)19-13-3-1-10(7-17-13)12-9-16-5-6-20-12/h1-4,7-8,12,16H,5-6,9H2,(H,17,18,19)/t12-/m0/s1
    MOLECULAR FORMULA
    C14H15BrN4O
    CROSS REFERENCES
    1727417 logo

    canSAR1727417

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 334.04
    AlogP 2.64
    HBond donors 2
    HBond acceptors 5
    Atoms 35
    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 canSAR1727417.