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canSAR1620330
FEATURES
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NAMES
    SMILES
    COCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O
    InChI
    InChI=1S/C22H25F2N3O6S/c1-30-9-4-8-27-20(29)18(34-21(27)15(13-25)19(28)26-7-10-31-2)12-14-5-6-16(33-22(23)24)17(11-14)32-3/h5-6,11-12,22H,4,7-10H2,1-3H3,(H,26,28)
    MOLECULAR FORMULA
    C22H25F2N3O6S
    CROSS REFERENCES
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    canSAR1620330

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.14
    AlogP 0.82
    HBond donors 1
    HBond acceptors 9
    Atoms 59
    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 canSAR1620330.