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canSAR1124281
FEATURES
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NAMES
    SMILES
    COc1ccc(CC2c3cc(OCC(F)(F)F)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC
    InChI
    InChI=1S/C30H33F3N2O5/c1-37-25-10-9-21(14-26(25)38-2)13-24-23-16-28(40-19-30(31,32)33)27(39-3)15-22(23)11-12-35(24)18-29(36)34-17-20-7-5-4-6-8-20/h4-10,14-16,24H,11-13,17-19H2,1-3H3,(H,34,36)
    MOLECULAR FORMULA
    C30H33F3N2O5
    CROSS REFERENCES
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    canSAR1124281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.23
    AlogP 5.11
    HBond donors 1
    HBond acceptors 7
    Atoms 73
    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 canSAR1124281.