56574646
  -OEChem-05082409482D

 53 56  0     1  0  0  0  0  0999 V2000
    6.7524    0.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204   -4.1555    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726    3.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    2.2104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -5.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903    3.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    1.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -0.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025    4.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2092    5.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2038    5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    2.9149    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7916    4.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -1.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0614   -0.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3864   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184   -2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3864   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184   -3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -4.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184   -5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885    4.9842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3718    4.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2525    6.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6077    5.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610    5.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    6.2515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002    2.9797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3056    4.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2222    5.2925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    1.3952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.1858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480    1.1275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    4.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6511   -0.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494   -2.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   -2.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   -3.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8084   -6.1925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   -5.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4284   -5.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 24  1  0  0  0  0
  2 28  1  0  0  0  0
  3 14  2  0  0  0  0
  4 16  2  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 21  1  0  0  0  0
  7 43  1  0  0  0  0
  8 21  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 22  2  0  0  0  0
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 20 22  1  0  0  0  0
 20 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  2  0  0  0  0
 27 49  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56574646

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
633

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQBAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwQQAAAADCzF3g6zl5PIFAisAyVydACC+KlhKjkJiDW+LJiMZrKkvTuUMChs1xOIqCeY2YOOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-2-(2-oxo-1-piperidyl)-2-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-2-(2-oxo-1-piperidinyl)-2-phenylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-(2-oxidanylidenepiperidin-1-yl)-2-phenyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-2-(2-ketopiperidino)-2-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H22FN3O3S/c1-30-19-11-10-16(13-17(19)24)18-14-31-23(25-18)26-22(29)21(15-7-3-2-4-8-15)27-12-6-5-9-20(27)28/h2-4,7-8,10-11,13-14,21H,5-6,9,12H2,1H3,(H,25,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
HGCGNDOJJQSSCQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
439.13659091

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22FN3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
439.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)N4CCCCC4=O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)N4CCCCC4=O)F

> <PUBCHEM_CACTVS_TPSA>
99.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
439.13659091

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
1  21  8
1  24  8
12  16  3
15  17  8
15  18  8
17  19  8
18  20  8
19  22  8
20  22  8
23  24  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
8  21  8
8  23  8

$$$$