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canSAR1618712
FEATURES
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NAMES
    SMILES
    COCCCn1c(=O)/c(=C\c2ccc(OC(F)F)c(OC)c2)s/c1=C(/C#N)C(N)=O
    InChI
    InChI=1S/C19H19F2N3O5S/c1-27-7-3-6-24-17(26)15(30-18(24)12(10-22)16(23)25)9-11-4-5-13(29-19(20)21)14(8-11)28-2/h4-5,8-9,19H,3,6-7H2,1-2H3,(H2,23,25)/b15-9+,18-12-
    MOLECULAR FORMULA
    C19H19F2N3O5S
    CROSS REFERENCES
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    canSAR1618712

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.10
    AlogP 0.54
    HBond donors 2
    HBond acceptors 8
    Atoms 49
    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 canSAR1618712.