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canSAR1725845
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NAMES
    SMILES
    O=C1CCc2ccc(NC(=O)N[C@H]3CC4(CCC4)Oc4ccc(F)cc43)cc2N1
    InChI
    InChI=1S/C22H22FN3O3/c23-14-4-6-19-16(10-14)18(12-22(29-19)8-1-9-22)26-21(28)24-15-5-2-13-3-7-20(27)25-17(13)11-15/h2,4-6,10-11,18H,1,3,7-9,12H2,(H,25,27)(H2,24,26,28)/t18-/m0/s1
    MOLECULAR FORMULA
    C22H22FN3O3
    CROSS REFERENCES
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    canSAR1725845

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.16
    AlogP 4.28
    HBond donors 3
    HBond acceptors 6
    Atoms 51
    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 canSAR1725845.