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canSAR783908
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NAMES
    SMILES
    O=C(O)c1cccc(C2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)CC2)c1
    InChI
    InChI=1S/C18H16F6N2O3S/c19-17(20,21)16(29,18(22,23)24)13-9-25-15(30-13)26-6-4-10(5-7-26)11-2-1-3-12(8-11)14(27)28/h1-3,8-10,29H,4-7H2,(H,27,28)
    MOLECULAR FORMULA
    C18H16F6N2O3S
    CROSS REFERENCES
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    canSAR783908

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.08
    AlogP 4.54
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    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 canSAR783908.