
 US9475819, 10A

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    7.9126    4.0009    0.2606 N   0  0  0  0  0
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    5.4554    3.9947   -1.5068 O   0  0  0  0  0
    3.7418    3.3913   -0.1200 N   0  0  0  0  0
    3.1463    3.2175    1.1889 C   0  0  0  0  0
    2.7852    4.6746    1.5355 C   0  0  0  0  0
    2.4616    5.2833    0.1512 C   0  0  0  0  0
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    6.1969   -1.9593    0.1371 H   0  0  0  0  0
    4.4654    0.9070    0.1525 H   0  0  0  0  0
    9.2918    1.7983    0.7889 H   0  0  0  0  0
    8.4133   -0.4593    1.1232 H   0  0  0  0  0
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M  END

>  <Chemical Name>
US9475819, 10A

>  <PubChem CID>
90411864

>  <Formula>
C22H22FN5O2

>  <Molecular Weight>
407.449000

>  <IUPAC Name>
[(1R,3R,4S)-3-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3C4CCC3C(C4)COC5=NC=C(C=C5)F

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3[C@@H]4CC[C@H]3[C@@H](C4)COC5=NC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3/t15-,17+,19-/m0/s1

>  <InChI Key>
FNSBFXNNFNCHOW-WDYCEAGBSA-N

