
 CHEMBL3288354

 50 52  0  0  0  0  0  0  0  0999 V2000
    4.9609   -1.2767    0.8809 C   0  0  0  0  0
    4.0964   -0.1929    0.2803 C   0  0  0  0  0
    2.8794   -0.4560   -0.4182 C   0  0  0  0  0
    2.1642    0.6635   -0.9359 C   0  0  0  0  0
    2.6712    1.9688   -0.7766 C   0  0  0  0  0
    3.8426    2.2021   -0.0711 C   0  0  0  0  0
    4.5413    1.1308    0.4650 C   0  0  0  0  0
    0.8693    0.5382   -1.7012 C   0  0  0  0  0
    2.3879   -1.8520   -0.6119 C   0  0  0  0  0
    2.2695   -2.7477    0.4675 C   0  0  0  0  0
    1.9216   -4.0994    0.2843 C   0  0  0  0  0
    1.5577   -4.5362   -0.9924 C   0  0  0  0  0
    1.6160   -3.6590   -2.0715 C   0  0  0  0  0
    2.0636   -2.3472   -1.8868 C   0  0  0  0  0
    1.9897   -5.0672    1.4453 C   0  0  0  0  0
    3.3191   -5.0137    1.9722 O   0  0  0  0  0
    3.5698   -5.9923    2.9097 C   0  0  0  0  0
    2.5451   -6.6729    3.4622 N   0  0  0  0  0
    2.8700   -7.6330    4.3542 C   0  0  0  0  0
    4.1745   -7.9528    4.7222 C   0  0  0  0  0
    5.2062   -7.2054    4.1502 C   0  0  0  0  0
    4.9000   -6.2050    3.2331 C   0  0  0  0  0
    4.4645   -9.0918    5.6608 C   0  0  0  0  0
    4.3353  -10.4672    5.0098 C   0  0  0  0  0
    5.4139  -10.6898    3.9669 C   0  0  0  0  0
    5.3204  -10.4567    2.7726 O   0  0  0  0  0
    6.5759  -11.1451    4.4761 O   0  0  0  0  0
    4.3946  -11.4024    6.0101 F   0  0  0  0  0
    4.5869   -1.5523    1.8720 H   0  0  0  0  0
    5.9937   -0.9319    1.0028 H   0  0  0  0  0
    5.0090   -2.1596    0.2380 H   0  0  0  0  0
    2.1389    2.8184   -1.1993 H   0  0  0  0  0
    4.2105    3.2159    0.0598 H   0  0  0  0  0
    5.4549    1.3286    1.0219 H   0  0  0  0  0
    0.2250   -0.2392   -1.2819 H   0  0  0  0  0
    1.0733    0.3286   -2.7562 H   0  0  0  0  0
    0.2950    1.4710   -1.6552 H   0  0  0  0  0
    2.5010   -2.4081    1.4758 H   0  0  0  0  0
    1.2531   -5.5664   -1.1600 H   0  0  0  0  0
    1.3424   -4.0019   -3.0659 H   0  0  0  0  0
    2.1622   -1.7098   -2.7623 H   0  0  0  0  0
    1.7665   -6.0816    1.0876 H   0  0  0  0  0
    1.2560   -4.7721    2.2041 H   0  0  0  0  0
    2.0188   -8.1647    4.7720 H   0  0  0  0  0
    6.2467   -7.4032    4.3957 H   0  0  0  0  0
    5.6814   -5.6193    2.7612 H   0  0  0  0  0
    3.7778   -9.0315    6.5149 H   0  0  0  0  0
    5.4666   -8.9769    6.0950 H   0  0  0  0  0
    3.3620  -10.6009    4.5246 H   0  0  0  0  0
    7.1597  -11.2504    3.6965 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 28  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3288354

>  <PubChem CID>
90644296

>  <Formula>
C23H22FNO3

>  <Molecular Weight>
379.431000

>  <IUPAC Name>
3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]pyridin-3-yl]-2-fluoropropanoic acid

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=NC=C(C=C3)CC(C(=O)O)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C2=CC(=CC=C2)COC3=NC=C(C=C3)CC(C(=O)O)F

>  <InChI Std. ID>
InChI=1S/C23H22FNO3/c1-15-5-3-6-16(2)22(15)19-8-4-7-18(11-19)14-28-21-10-9-17(13-25-21)12-20(24)23(26)27/h3-11,13,20H,12,14H2,1-2H3,(H,26,27)

>  <InChI Key>
IFDASFUXVDHKSQ-UHFFFAOYSA-N

