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canSAR354862
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NAMES
    SMILES
    COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1N1CC(C)OC(C)C1
    InChI
    InChI=1S/C21H24F3N5O2S/c1-12-10-28(11-13(2)31-12)18-14-5-4-6-16(21(22,23)24)17(14)25-9-15(18)19-26-27-20(32)29(19)7-8-30-3/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,27,32)
    MOLECULAR FORMULA
    C21H24F3N5O2S
    CROSS REFERENCES
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    canSAR354862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.16
    AlogP 4.06
    HBond donors 0
    HBond acceptors 7
    Atoms 56
    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 canSAR354862.