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canSAR1122755
FEATURES
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NAMES
    SMILES
    NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OC[C@@H]1CCCN1S(N)(=O)=O
    InChI
    InChI=1S/C18H19F2IN4O4S/c19-10-6-15(24-14-4-3-11(21)8-13(14)20)17(18(22)26)16(7-10)29-9-12-2-1-5-25(12)30(23,27)28/h3-4,6-8,12,24H,1-2,5,9H2,(H2,22,26)(H2,23,27,28)/t12-/m0/s1
    MOLECULAR FORMULA
    C18H19F2IN4O4S
    CROSS REFERENCES
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    canSAR1122755

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.01
    AlogP 2.46
    HBond donors 5
    HBond acceptors 8
    Atoms 49
    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 canSAR1122755.