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canSAR1595275
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NAMES
    SMILES
    CC(Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1
    InChI
    InChI=1S/C22H23FN4O4S/c1-15(30-19-5-3-2-4-18(19)23)21-25-26-22(31-21)32-14-20(28)24-16-6-8-17(9-7-16)27-10-12-29-13-11-27/h2-9,15H,10-14H2,1H3,(H,24,28)
    MOLECULAR FORMULA
    C22H23FN4O4S
    CROSS REFERENCES
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    canSAR1595275

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.14
    AlogP 3.92
    HBond donors 1
    HBond acceptors 8
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1595275.