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canSAR1132552
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NAMES
    SMILES
    O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc2cc(Br)ccc2c1
    InChI
    InChI=1S/C27H21BrN4O2/c28-21-8-7-17-13-19(6-5-18(17)14-21)26(33)32-25(27(34)31-22-9-11-29-12-10-22)15-20-16-30-24-4-2-1-3-23(20)24/h1-14,16,25,30H,15H2,(H,32,33)(H,29,31,34)/t25-/m0/s1
    MOLECULAR FORMULA
    C27H21BrN4O2
    CROSS REFERENCES
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    canSAR1132552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.08
    AlogP 5.46
    HBond donors 3
    HBond acceptors 6
    Atoms 55
    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 canSAR1132552.