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canSAR1129582
FEATURES
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NAMES
    SMILES
    CCS(=O)(=O)N1CCC[C@H]1COc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O
    InChI
    InChI=1S/C20H22F2IN3O4S/c1-2-31(28,29)26-7-3-4-14(26)11-30-18-9-12(21)8-17(19(18)20(24)27)25-16-6-5-13(23)10-15(16)22/h5-6,8-10,14,25H,2-4,7,11H2,1H3,(H2,24,27)/t14-/m0/s1
    MOLECULAR FORMULA
    C20H22F2IN3O4S
    CROSS REFERENCES
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    canSAR1129582

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.03
    AlogP 3.60
    HBond donors 3
    HBond acceptors 7
    Atoms 53
    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 canSAR1129582.