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canSAR1150022
FEATURES
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NAMES
    SMILES
    O=C(NCC(O)c1cnc2ncccn12)c1cc(Br)c[nH]1
    InChI
    InChI=1S/C13H12BrN5O2/c14-8-4-9(16-5-8)12(21)17-7-11(20)10-6-18-13-15-2-1-3-19(10)13/h1-6,11,16,20H,7H2,(H,17,21)
    MOLECULAR FORMULA
    C13H12BrN5O2
    CROSS REFERENCES
    1150022 logo

    canSAR1150022

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.02
    AlogP 1.28
    HBond donors 3
    HBond acceptors 7
    Atoms 33
    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 canSAR1150022.