
 CHEMBL137504

 50 52  0  0  0  0  0  0  0  0999 V2000
   -2.3109    0.3657    0.5616 C   0  0  0  0  0
   -1.7833    1.2719   -0.3522 C   0  0  0  0  0
   -0.4001    1.3486   -0.5450 C   0  0  0  0  0
    0.4893    0.5308    0.1772 C   0  0  0  0  0
   -0.0722   -0.3762    1.0945 C   0  0  0  0  0
   -1.4559   -0.4618    1.2827 C   0  0  0  0  0
    1.9547    0.6279   -0.0135 C   0  0  0  0  0
    2.5836    1.8674   -0.2211 C   0  0  0  0  0
    3.9662    1.9416   -0.3994 C   0  0  0  0  0
    4.7448    0.8368   -0.3456 N   0  0  0  0  0
    4.1433   -0.3494   -0.1379 C   0  0  0  0  0
    2.7767   -0.5038    0.0169 C   0  0  0  0  0
    4.9093   -1.4979   -0.0595 O   0  0  0  0  0
    6.3132   -1.2297   -0.1491 C   0  0  0  0  0
    7.0659   -2.5441    0.0437 C   0  0  0  0  0
    8.5823   -2.4106   -0.1208 C   0  0  0  0  0
    9.2701   -1.4115    0.8155 C   0  0  0  0  0
    9.1010   -1.7460    2.2960 C   0  0  0  0  0
    9.8002   -0.7379    3.1690 C   0  0  0  0  0
   10.7205   -0.0015    2.8591 O   0  0  0  0  0
    9.3134   -0.7339    4.4255 O   0  0  0  0  0
    4.6837    3.2107   -0.6472 C   0  0  0  0  0
    4.0978    4.2797   -1.3502 C   0  0  0  0  0
    4.7974    5.4692   -1.5819 C   0  0  0  0  0
    6.1017    5.6148   -1.1186 C   0  0  0  0  0
    6.7091    4.5711   -0.4282 C   0  0  0  0  0
    6.0072    3.3842   -0.1984 C   0  0  0  0  0
   -3.3857    0.3037    0.7113 H   0  0  0  0  0
   -2.4466    1.9198   -0.9194 H   0  0  0  0  0
   -0.0255    2.0555   -1.2818 H   0  0  0  0  0
    0.5662   -1.0239    1.6920 H   0  0  0  0  0
   -1.8626   -1.1722    1.9980 H   0  0  0  0  0
    1.9952    2.7798   -0.2135 H   0  0  0  0  0
    2.3707   -1.4994    0.1591 H   0  0  0  0  0
    6.6060   -0.5247    0.6379 H   0  0  0  0  0
    6.5524   -0.8134   -1.1356 H   0  0  0  0  0
    6.6944   -3.2767   -0.6843 H   0  0  0  0  0
    6.8203   -2.9680    1.0246 H   0  0  0  0  0
    8.7988   -2.1159   -1.1556 H   0  0  0  0  0
    9.0364   -3.3995    0.0185 H   0  0  0  0  0
    8.9070   -0.3958    0.6178 H   0  0  0  0  0
   10.3401   -1.3956    0.5700 H   0  0  0  0  0
    9.5165   -2.7350    2.5170 H   0  0  0  0  0
    8.0390   -1.7412    2.5608 H   0  0  0  0  0
    9.8448   -0.0504    4.8847 H   0  0  0  0  0
    3.0905    4.1934   -1.7506 H   0  0  0  0  0
    4.3244    6.2781   -2.1325 H   0  0  0  0  0
    6.6472    6.5367   -1.3018 H   0  0  0  0  0
    7.7303    4.6733   -0.0698 H   0  0  0  0  0
    6.5048    2.5789    0.3403 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 47  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 26 27  2  0  0  0
 26 49  1  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL137504

>  <PubChem CID>
10406292

>  <Formula>
C23H23NO3

>  <Molecular Weight>
361.441000

>  <IUPAC Name>
6-(4,6-diphenylpyridin-2-yl)oxyhexanoic acid

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)O)C3=CC=CC=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H23NO3/c25-23(26)14-8-3-9-15-27-22-17-20(18-10-4-1-5-11-18)16-21(24-22)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26)

>  <InChI Key>
FJLSNSKSKQBOKK-UHFFFAOYSA-N

