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canSAR1269542
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NAMES
    SMILES
    Cn1c(-c2ccc3ccccc3c2)c(C(C(=O)NO)c2ccccc2Br)c2ccccc21
    InChI
    InChI=1S/C27H21BrN2O2/c1-30-23-13-7-5-11-21(23)24(25(27(31)29-32)20-10-4-6-12-22(20)28)26(30)19-15-14-17-8-2-3-9-18(17)16-19/h2-16,25,32H,1H3,(H,29,31)
    MOLECULAR FORMULA
    C27H21BrN2O2
    CROSS REFERENCES
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    canSAR1269542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.08
    AlogP 6.40
    HBond donors 2
    HBond acceptors 4
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1269542.