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canSAR1685269
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NAMES
    SMILES
    COc1ccc2c(CNCCc3cccs3)c(C(=O)O)n(Cc3cccc(F)c3)c2c1
    InChI
    InChI=1S/C24H23FN2O3S/c1-30-18-7-8-20-21(14-26-10-9-19-6-3-11-31-19)23(24(28)29)27(22(20)13-18)15-16-4-2-5-17(25)12-16/h2-8,11-13,26H,9-10,14-15H2,1H3,(H,28,29)
    MOLECULAR FORMULA
    C24H23FN2O3S
    CROSS REFERENCES
    1685269 logo

    canSAR1685269

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.14
    AlogP 4.93
    HBond donors 2
    HBond acceptors 5
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1685269.