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canSAR1499885
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NAMES
    SMILES
    O=C1c2cc(I)ccc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCBr
    InChI
    InChI=1S/C19H12BrIN2O4/c20-6-1-7-22-17-13-4-2-10(21)8-14(13)18(24)16(17)12-5-3-11(23(26)27)9-15(12)19(22)25/h2-5,8-9H,1,6-7H2
    MOLECULAR FORMULA
    C19H12BrIN2O4
    CROSS REFERENCES
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    canSAR1499885

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.90
    AlogP 4.51
    HBond donors 0
    HBond acceptors 6
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1499885.