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canSAR1132650
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NAMES
    SMILES
    O=C(CO)N1CCN(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CCN1
    InChI
    InChI=1S/C19H22F2N6O5/c20-14-7-12(26-10-13(32-19(26)30)9-22-16-1-6-31-24-16)8-15(21)18(14)25-3-2-23-27(5-4-25)17(29)11-28/h1,6-8,13,23,28H,2-5,9-11H2,(H,22,24)/t13-/m0/s1
    MOLECULAR FORMULA
    C19H22F2N6O5
    CROSS REFERENCES
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    canSAR1132650

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.16
    AlogP 0.54
    HBond donors 3
    HBond acceptors 11
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1132650.