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canSAR1266776
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NAMES
    SMILES
    COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c(F)c1
    InChI
    InChI=1S/C30H27FN2O5/c1-37-22-11-13-24(26(31)15-22)30-25(20-6-3-2-4-7-20)16-28(34)33(32-30)17-19-10-12-23-21(14-19)8-5-9-27(23)38-18-29(35)36/h2-9,11,13,15-16,19H,10,12,14,17-18H2,1H3,(H,35,36)
    MOLECULAR FORMULA
    C30H27FN2O5
    CROSS REFERENCES
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    canSAR1266776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.19
    AlogP 4.99
    HBond donors 1
    HBond acceptors 7
    Atoms 65
    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 canSAR1266776.