
 CHEMBL457142

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.2975   -1.3450    0.5613 C   0  0  0  0  0
    1.5204   -0.6983    0.5728 C   0  0  0  0  0
    1.5906    0.6340    0.1742 C   0  0  0  0  0
    0.4463    1.3601   -0.2471 C   0  0  0  0  0
   -0.8146    0.7168   -0.2204 C   0  0  0  0  0
   -0.8483   -0.6462    0.1750 C   0  0  0  0  0
   -2.0874    1.3741   -0.5923 C   0  0  0  0  0
   -2.0820    2.1407   -1.7069 N   0  0  0  0  0
   -3.2464    2.7414   -2.0684 C   0  0  0  0  0
   -4.4444    2.5749   -1.3831 C   0  0  0  0  0
   -4.4487    1.7655   -0.2565 C   0  0  0  0  0
   -3.2580    1.1706    0.1490 C   0  0  0  0  0
   -3.2400    3.6160   -3.2759 C   0  0  0  0  0
   -4.1790    4.2851   -3.6705 O   0  0  0  0  0
   -2.0727    3.5948   -3.9480 O   0  0  0  0  0
    0.7040    2.7233   -0.7679 C   0  0  0  0  0
    0.4613    3.9099   -0.0405 C   0  0  0  0  0
    1.0026    5.1132   -0.5159 C   0  0  0  0  0
    1.6834    5.1761   -1.7348 C   0  0  0  0  0
    1.8406    4.0278   -2.4932 C   0  0  0  0  0
    1.3683    2.8128   -2.0137 C   0  0  0  0  0
    2.6773    4.0992   -3.9935 Cl  0  0  0  0  0
   -0.2791    3.8000    1.1091 O   0  0  0  0  0
   -0.6529    4.9791    1.8293 C   0  0  0  0  0
   -1.9098    5.6549    1.3097 C   0  0  0  0  0
   -3.1747    5.1899    1.7058 C   0  0  0  0  0
   -4.3386    5.8319    1.2709 C   0  0  0  0  0
   -4.2454    6.9270    0.4218 C   0  0  0  0  0
   -3.0093    7.3976    0.0050 C   0  0  0  0  0
   -1.8461    6.7697    0.4555 C   0  0  0  0  0
   -5.3609    7.5429    0.0091 F   0  0  0  0  0
    0.2297   -2.3920    0.8445 H   0  0  0  0  0
    2.4219   -1.2273    0.8683 H   0  0  0  0  0
    2.5665    1.1195    0.1663 H   0  0  0  0  0
   -1.7892   -1.1947    0.1589 H   0  0  0  0  0
   -5.3535    3.0626   -1.7200 H   0  0  0  0  0
   -5.3648    1.6002    0.3027 H   0  0  0  0  0
   -3.2486    0.5498    1.0401 H   0  0  0  0  0
   -2.2115    4.1958   -4.7053 H   0  0  0  0  0
    0.9370    6.0354    0.0453 H   0  0  0  0  0
    2.0867    6.1245   -2.0790 H   0  0  0  0  0
    1.5329    1.9083   -2.5965 H   0  0  0  0  0
    0.1771    5.6857    1.9433 H   0  0  0  0  0
   -0.8572    4.6509    2.8570 H   0  0  0  0  0
   -3.2583    4.3315    2.3692 H   0  0  0  0  0
   -5.3159    5.4882    1.5935 H   0  0  0  0  0
   -2.9565    8.2537   -0.6600 H   0  0  0  0  0
   -0.8937    7.1768    0.1327 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 21 42  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 45  1  0  0  0
 27 28  2  0  0  0
 27 46  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
 29 47  1  0  0  0
 30 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL457142

>  <PubChem CID>
10003006

>  <Formula>
C25H17ClFNO3

>  <Molecular Weight>
433.863000

>  <IUPAC Name>
6-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C(=C1)C2=NC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C2=NC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C25H17ClFNO3/c26-17-10-13-24(31-15-16-8-11-18(27)12-9-16)21(14-17)19-4-1-2-5-20(19)22-6-3-7-23(28-22)25(29)30/h1-14H,15H2,(H,29,30)

>  <InChI Key>
ATOQBKOTVGDYNI-UHFFFAOYSA-N

