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canSAR1109930
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NAMES
    SMILES
    O=C(c1ccc(F)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(Br)cc4)cc3Cl)o2)c(Cl)c1
    InChI
    InChI=1S/C30H16BrCl2F3N2O5/c31-19-5-1-15(2-6-19)27(39)17-9-21(32)29(23(35)11-17)41-13-25-37-38-26(43-25)14-42-30-22(33)10-18(12-24(30)36)28(40)16-3-7-20(34)8-4-16/h1-12H,13-14H2
    MOLECULAR FORMULA
    C30H16BrCl2F3N2O5
    CROSS REFERENCES
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    canSAR1109930

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 689.96
    AlogP 8.18
    HBond donors 0
    HBond acceptors 7
    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 canSAR1109930.