
 CHEMBL208080

 58 60  0  0  0  0  0  0  0  0999 V2000
   -1.0238    2.3365    1.3496 C   0  0  0  0  0
   -1.4741    2.8941    2.6957 C   0  0  0  0  0
   -0.2958    2.5919    3.5786 C   0  0  0  0  0
   -0.3167    2.5513    4.7998 O   0  0  0  0  0
    0.8085    2.3754    2.7594 N   0  0  0  0  0
    0.4941    2.5509    1.3483 C   0  0  0  0  0
    0.8367    3.9468    0.7960 C   0  0  0  0  0
    2.3417    4.2019    0.6354 C   0  0  0  0  0
    2.6213    5.5772    0.0159 C   0  0  0  0  0
    4.1175    5.9532    0.0087 C   0  0  0  0  0
    5.0635    5.0065   -0.6982 C   0  0  0  0  0
    4.9505    4.7584   -2.0728 C   0  0  0  0  0
    5.8682    3.9320   -2.7152 C   0  0  0  0  0
    6.9120    3.3407   -2.0167 C   0  0  0  0  0
    7.0403    3.5783   -0.6503 C   0  0  0  0  0
    6.1221    4.4065    0.0048 C   0  0  0  0  0
    5.7484    3.7134   -4.0316 F   0  0  0  0  0
    2.0591    5.6370   -1.2940 O   0  0  0  0  0
    2.0881    1.9071    3.2728 C   0  0  0  0  0
    2.4888    0.5255    2.7619 C   0  0  0  0  0
    1.4828   -0.5673    3.1399 C   0  0  0  0  0
    1.9296   -1.9243    2.6467 C   0  0  0  0  0
    2.2381   -2.9475    3.5528 C   0  0  0  0  0
    2.6904   -4.1891    3.0936 C   0  0  0  0  0
    2.8419   -4.4165    1.7215 C   0  0  0  0  0
    2.5184   -3.4053    0.8117 C   0  0  0  0  0
    2.0537   -2.1724    1.2717 C   0  0  0  0  0
    3.3553   -5.6980    1.1876 C   0  0  0  0  0
    3.7055   -5.9058    0.0396 O   0  0  0  0  0
    3.3822   -6.6758    2.1118 O   0  0  0  0  0
   -1.2399    1.2609    1.3196 H   0  0  0  0  0
   -1.5422    2.8013    0.5053 H   0  0  0  0  0
   -2.3740    2.3900    3.0582 H   0  0  0  0  0
   -1.6333    3.9764    2.6627 H   0  0  0  0  0
    0.9724    1.7719    0.7463 H   0  0  0  0  0
    0.4090    4.7265    1.4368 H   0  0  0  0  0
    0.3609    4.0480   -0.1869 H   0  0  0  0  0
    2.7662    3.4088    0.0088 H   0  0  0  0  0
    2.8304    4.1662    1.6119 H   0  0  0  0  0
    2.0964    6.3359    0.6102 H   0  0  0  0  0
    4.4417    6.0711    1.0504 H   0  0  0  0  0
    4.2381    6.9371   -0.4623 H   0  0  0  0  0
    4.1578    5.2060   -2.6643 H   0  0  0  0  0
    7.6197    2.7074   -2.5413 H   0  0  0  0  0
    7.8583    3.1266   -0.0957 H   0  0  0  0  0
    6.2499    4.5881    1.0702 H   0  0  0  0  0
    2.2003    6.5376   -1.6331 H   0  0  0  0  0
    2.0509    1.8909    4.3680 H   0  0  0  0  0
    2.8571    2.6317    2.9996 H   0  0  0  0  0
    3.4731    0.2731    3.1785 H   0  0  0  0  0
    2.6232    0.5641    1.6744 H   0  0  0  0  0
    0.4944   -0.3571    2.7166 H   0  0  0  0  0
    1.3571   -0.5857    4.2302 H   0  0  0  0  0
    2.1377   -2.7838    4.6244 H   0  0  0  0  0
    2.9336   -4.9652    3.8147 H   0  0  0  0  0
    2.6292   -3.5719   -0.2581 H   0  0  0  0  0
    1.8021   -1.4003    0.5478 H   0  0  0  0  0
    3.7112   -7.4543    1.6159 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 45  1  0  0  0
 16 46  1  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 21 53  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 24 25  2  0  0  0
 24 55  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 56  1  0  0  0
 27 57  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL208080

>  <PubChem CID>
11165865

>  <Formula>
C24H28FNO4

>  <Molecular Weight>
413.489000

>  <IUPAC Name>
4-[3-[2-[4-(3-fluorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid

>  <XlogP>
3.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)F)O)CCCC3=CC=C(C=C3)C(=O)O

>  <Isomeric SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)F)O)CCCC3=CC=C(C=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C24H28FNO4/c25-20-5-1-3-18(15-20)16-22(27)12-10-21-11-13-23(28)26(21)14-2-4-17-6-8-19(9-7-17)24(29)30/h1,3,5-9,15,21-22,27H,2,4,10-14,16H2,(H,29,30)

>  <InChI Key>
CILMWGKYOULOMR-UHFFFAOYSA-N

