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canSAR1019161
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NAMES
    SMILES
    COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]1CC2
    InChI
    InChI=1S/C21H19F3N2O3/c1-12(27)26-20(14-4-7-15(8-5-14)29-21(22,23)24)17-10-6-13-3-9-16(28-2)11-18(13)19(17)25-26/h3-5,7-9,11,17,20H,6,10H2,1-2H3/t17-,20-/m0/s1
    MOLECULAR FORMULA
    C21H19F3N2O3
    CROSS REFERENCES
    1019161 logo

    canSAR1019161

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.13
    AlogP 4.46
    HBond donors 0
    HBond acceptors 5
    Atoms 48
    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 canSAR1019161.