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canSAR1110305
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NAMES
    SMILES
    O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCc3cccc(Cl)c3O2)CC1
    InChI
    InChI=1S/C21H20ClF3N2O2/c22-17-3-1-2-14-8-9-20(29-18(14)17)10-12-27(13-11-20)19(28)26-16-6-4-15(5-7-16)21(23,24)25/h1-7H,8-13H2,(H,26,28)
    MOLECULAR FORMULA
    C21H20ClF3N2O2
    CROSS REFERENCES
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    canSAR1110305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.12
    AlogP 5.75
    HBond donors 1
    HBond acceptors 4
    Atoms 49
    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 canSAR1110305.