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canSAR1509389
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NAMES
    SMILES
    CCOC(=O)C1CCC(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(F)c(C(=O)Nc3c(C)cccc3C)c2)CC1
    InChI
    InChI=1S/C33H39FN2O6S/c1-5-42-33(38)26-13-9-24(10-14-26)20-36(21-25-11-15-27(41-4)16-12-25)43(39,40)28-17-18-30(34)29(19-28)32(37)35-31-22(2)7-6-8-23(31)3/h6-8,11-12,15-19,24,26H,5,9-10,13-14,20-21H2,1-4H3,(H,35,37)
    MOLECULAR FORMULA
    C33H39FN2O6S
    CROSS REFERENCES
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    canSAR1509389

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 610.25
    AlogP 6.26
    HBond donors 1
    HBond acceptors 8
    Atoms 82
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1509389.