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canSAR2016700
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NAMES
    SMILES
    Cc1nc2cc(OC3(C)CCN(Cc4ccc(OC(F)(F)F)cc4)C3)ccc2s1
    InChI
    InChI=1S/C21H21F3N2O2S/c1-14-25-18-11-17(7-8-19(18)29-14)27-20(2)9-10-26(13-20)12-15-3-5-16(6-4-15)28-21(22,23)24/h3-8,11H,9-10,12-13H2,1-2H3
    MOLECULAR FORMULA
    C21H21F3N2O2S
    CROSS REFERENCES
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    canSAR2016700

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.13
    AlogP 5.55
    HBond donors 0
    HBond acceptors 4
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2016700.