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canSAR2000872
FEATURES
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NAMES
    SMILES
    CCCCNC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2OC(F)F)c(=O)n1CCCOC
    InChI
    InChI=1S/C22H25F2N3O4S/c1-3-4-10-26-19(28)16(14-25)21-27(11-7-12-30-2)20(29)18(32-21)13-15-8-5-6-9-17(15)31-22(23)24/h5-6,8-9,13,22H,3-4,7,10-12H2,1-2H3,(H,26,28)/b18-13-,21-16-
    MOLECULAR FORMULA
    C22H25F2N3O4S
    CROSS REFERENCES
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    canSAR2000872

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.15
    AlogP 1.97
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    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 canSAR2000872.