648776
  -OEChem-05062419072D

 53 57  0     1  0  0  0  0  0999 V2000
    2.0000   -4.5431    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5863   -1.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1434    0.7761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7367    3.4217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1379    2.6126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798    4.0908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3458    3.5908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8800   -0.2065    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6212   -1.1725    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5712   -1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4002   -2.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790   -0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0201   -1.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6434    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1434    2.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7585    3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3518    4.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154    2.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2704   -3.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   -2.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3573    4.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1494    3.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276   -3.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008   -2.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428   -3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    0.2914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7040   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.1023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2325   -0.4339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9943   -2.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168   -2.4973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8729   -0.8931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4739   -0.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8252   -2.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6141   -1.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685    2.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1685    1.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743   -0.7227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487    4.1114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    4.7347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2229    5.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    2.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    2.5456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810   -3.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7315   -1.4887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3573    5.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407    4.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597    3.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972    2.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396   -4.5333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6902   -2.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 10  1  0  0  0  0
  2 40  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 23  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 25  1  0  0  0  0
 21 46  1  0  0  0  0
 22 26  2  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
648776

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
509

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oQAAAAAAAAAAAAAAAAAAAeLEAAA8QAAABgAAAAABwAAAHwAICAAADGzBmwwxEIcIAgCiAiJiJAACAAMggIAdyAAYCIiIZiKAmRCUcAAmwAOImAeQwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-[(1-cyclopentyltetrazol-5-yl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
8-[(1-cyclopentyl-5-tetrazolyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-[(1-cyclopentyltetrazol-5-yl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_NAME>
8-[(1-cyclopentyltetrazol-5-yl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-[(1-cyclopentyltetrazol-5-yl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H26FN5O/c21-15-7-5-14(6-8-15)20(27)11-17-9-10-18(12-20)25(17)13-19-22-23-24-26(19)16-3-1-2-4-16/h5-8,16-18,27H,1-4,9-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
AKNRRJRROLTKDX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
371.21213863

> <PUBCHEM_MOLECULAR_FORMULA>
C20H26FN5O

> <PUBCHEM_MOLECULAR_WEIGHT>
371.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)N2C(=NN=N2)CN3C4CCC3CC(C4)(C5=CC=C(C=C5)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)N2C(=NN=N2)CN3C4CCC3CC(C4)(C5=CC=C(C=C5)F)O

> <PUBCHEM_CACTVS_TPSA>
67.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.21213863

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  21  8
16  22  8
21  25  8
22  26  8
25  27  8
26  27  8
4  17  8
4  6  8
5  17  8
5  7  8
6  7  8
8  13  3
9  14  3

$$$$