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canSAR1719372
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NAMES
    SMILES
    Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)C1CCC(C2)N1
    InChI
    InChI=1S/C21H20F2N2O3S/c1-25-18-8-6-15(11-16(18)20-17-7-5-12(24-17)9-19(20)25)29(26,27)14-4-2-3-13(10-14)28-21(22)23/h2-4,6,8,10-12,17,21,24H,5,7,9H2,1H3
    MOLECULAR FORMULA
    C21H20F2N2O3S
    CROSS REFERENCES
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    canSAR1719372

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.12
    AlogP 3.96
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    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 canSAR1719372.