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canSAR1119081
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NAMES
    SMILES
    COc1cc(-c2nn(-c3cccc(NC(=O)c4ccc(Br)c(C)c4)c3)cc2-c2ccncc2)ccc1Cl
    InChI
    InChI=1S/C29H22BrClN4O2/c1-18-14-21(6-8-25(18)30)29(36)33-22-4-3-5-23(16-22)35-17-24(19-10-12-32-13-11-19)28(34-35)20-7-9-26(31)27(15-20)37-2/h3-17H,1-2H3,(H,33,36)
    MOLECULAR FORMULA
    C29H22BrClN4O2
    CROSS REFERENCES
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    canSAR1119081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 572.06
    AlogP 7.59
    HBond donors 1
    HBond acceptors 6
    Atoms 59
    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 canSAR1119081.