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canSAR1964799
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NAMES
    SMILES
    Brc1cccc(C2CC(c3ccccc3I)n3nnnc3N2)c1
    InChI
    InChI=1S/C16H13BrIN5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)
    MOLECULAR FORMULA
    C16H13BrIN5
    CROSS REFERENCES
    1964799 logo

    canSAR1964799

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.94
    AlogP 4.19
    HBond donors 1
    HBond acceptors 5
    Atoms 36
    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 canSAR1964799.