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canSAR56160
FEATURES
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NAMES
    SMILES
    C=CCOC1C(O)C(COS(=O)(=O)c2cccc(C(F)(F)F)c2)OC(Oc2ccc(I)cc2)C1OC(=O)CC
    InChI
    InChI=1S/C25H26F3IO9S/c1-3-12-34-22-21(31)19(14-35-39(32,33)18-7-5-6-15(13-18)25(26,27)28)37-24(23(22)38-20(30)4-2)36-17-10-8-16(29)9-11-17/h3,5-11,13,19,21-24,31H,1,4,12,14H2,2H3
    MOLECULAR FORMULA
    C25H26F3IO9S
    CROSS REFERENCES
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    canSAR56160

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 686.03
    AlogP 4.07
    HBond donors 1
    HBond acceptors 9
    Atoms 65
    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 canSAR56160.