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canSAR1977111
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NAMES
    SMILES
    O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1C[C@@H]2C[C@H]1CO2
    InChI
    InChI=1S/C22H22F2N6O2/c23-13-3-4-17(24)16(8-13)19-2-1-6-28(19)20-5-7-30-21(27-20)18(10-25-30)26-22(31)29-11-15-9-14(29)12-32-15/h3-5,7-8,10,14-15,19H,1-2,6,9,11-12H2,(H,26,31)/t14-,15-,19+/m0/s1
    MOLECULAR FORMULA
    C22H22F2N6O2
    CROSS REFERENCES
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    canSAR1977111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.18
    AlogP 3.35
    HBond donors 1
    HBond acceptors 8
    Atoms 54
    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 canSAR1977111.