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canSAR1441443
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NAMES
    SMILES
    COc1cccc(NC(=S)[C-](C(=O)c2ccc(OC(F)F)cc2)[n+]2ccccc2)c1
    InChI
    InChI=1S/C22H18F2N2O3S/c1-28-18-7-5-6-16(14-18)25-21(30)19(26-12-3-2-4-13-26)20(27)15-8-10-17(11-9-15)29-22(23)24/h2-14,22H,1H3,(H,25,30)
    MOLECULAR FORMULA
    C22H18F2N2O3S
    CROSS REFERENCES
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    canSAR1441443

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.10
    AlogP 4.29
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1441443.