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canSAR2002639
FEATURES
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NAMES
    SMILES
    COCCCn1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C(/C#N)C(=O)NC(C)C
    InChI
    InChI=1S/C21H23F2N3O4S/c1-13(2)25-18(27)15(12-24)20-26(9-6-10-29-3)19(28)17(31-20)11-14-7-4-5-8-16(14)30-21(22)23/h4-5,7-8,11,13,21H,6,9-10H2,1-3H3,(H,25,27)/b17-11+,20-15-
    MOLECULAR FORMULA
    C21H23F2N3O4S
    CROSS REFERENCES
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    canSAR2002639

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.14
    AlogP 1.58
    HBond donors 1
    HBond acceptors 7
    Atoms 54
    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 canSAR2002639.