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canSAR112491
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NAMES
    SMILES
    CC(C)Oc1cccc(-n2c(/C=C/c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1
    InChI
    InChI=1S/C27H22BrN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-17,29H,1-2H3/b13-10+
    MOLECULAR FORMULA
    C27H22BrN3O2
    CROSS REFERENCES
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    canSAR112491

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.09
    AlogP 6.59
    HBond donors 1
    HBond acceptors 5
    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 canSAR112491.