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canSAR648502
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NAMES
    SMILES
    COc1cccc(-c2ccccc2Cc2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)c1
    InChI
    InChI=1S/C25H20FNO3S/c1-30-20-7-4-6-17(13-20)21-8-3-2-5-18(21)14-23-27-25(22(31-23)15-24(28)29)16-9-11-19(26)12-10-16/h2-13H,14-15H2,1H3,(H,28,29)
    MOLECULAR FORMULA
    C25H20FNO3S
    CROSS REFERENCES
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    canSAR648502

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.11
    AlogP 5.84
    HBond donors 1
    HBond acceptors 4
    Atoms 51
    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 canSAR648502.