
 CHEMBL122008

 54 56  0  0  0  0  0  0  0  0999 V2000
   -1.4764    0.7426    1.4053 C   0  0  0  0  0
   -0.4224    0.4446    2.2713 C   0  0  0  0  0
    0.8574    0.2258    1.7628 C   0  0  0  0  0
    1.0683    0.2951    0.3835 C   0  0  0  0  0
    0.0247    0.6216   -0.4851 C   0  0  0  0  0
   -1.2528    0.8367    0.0303 C   0  0  0  0  0
    2.4271    0.0576   -0.1618 C   0  0  0  0  0
    3.3129    0.9973   -0.3312 N   0  0  0  0  0
    2.8261    2.2485    0.0790 O   0  0  0  0  0
    3.6202    3.2758   -0.5175 C   0  0  0  0  0
    3.1365    3.5337   -1.9422 C   0  0  0  0  0
    3.9327    4.6443   -2.6207 C   0  0  0  0  0
    3.4399    4.8862   -4.0421 C   0  0  0  0  0
    4.2374    5.9759   -4.6966 C   0  0  0  0  0
    4.0125    7.1726   -4.6316 O   0  0  0  0  0
    5.3105    5.5097   -5.3616 O   0  0  0  0  0
    2.8046   -1.3661   -0.5906 C   0  0  0  0  0
    2.4559   -2.4358    0.4623 C   0  0  0  0  0
    3.1858   -3.7444    0.2464 C   0  0  0  0  0
    4.4784   -3.9245    0.7645 C   0  0  0  0  0
    5.1634   -5.1217    0.5511 C   0  0  0  0  0
    4.5609   -6.1356   -0.1831 C   0  0  0  0  0
    3.2847   -5.9760   -0.7069 C   0  0  0  0  0
    2.5953   -4.7817   -0.4917 C   0  0  0  0  0
    5.2210   -7.2827   -0.3891 F   0  0  0  0  0
    2.2941   -1.6448   -1.9301 N   0  0  0  0  0
    3.0089   -1.5191   -3.0926 C   0  0  0  0  0
    2.1348   -1.8742   -4.0920 C   0  0  0  0  0
    0.9123   -2.2068   -3.5710 N   0  0  0  0  0
    1.0386   -2.0625   -2.2717 C   0  0  0  0  0
   -2.4729    0.9182    1.8045 H   0  0  0  0  0
   -0.5991    0.3950    3.3431 H   0  0  0  0  0
    1.6805    0.0210    2.4419 H   0  0  0  0  0
    0.1994    0.7198   -1.5542 H   0  0  0  0  0
   -2.0731    1.0876   -0.6383 H   0  0  0  0  0
    4.6819    3.0019   -0.4912 H   0  0  0  0  0
    3.4955    4.1775    0.0912 H   0  0  0  0  0
    2.0697    3.7895   -1.9199 H   0  0  0  0  0
    3.2094    2.6099   -2.5294 H   0  0  0  0  0
    4.9973    4.3794   -2.6384 H   0  0  0  0  0
    3.8505    5.5705   -2.0385 H   0  0  0  0  0
    2.3859    5.1865   -4.0503 H   0  0  0  0  0
    3.5101    3.9761   -4.6490 H   0  0  0  0  0
    5.7416    6.3158   -5.7152 H   0  0  0  0  0
    3.9005   -1.3646   -0.6963 H   0  0  0  0  0
    1.3765   -2.6277    0.5036 H   0  0  0  0  0
    2.7212   -2.0692    1.4629 H   0  0  0  0  0
    4.9612   -3.1357    1.3378 H   0  0  0  0  0
    6.1618   -5.2698    0.9498 H   0  0  0  0  0
    2.8351   -6.7788   -1.2826 H   0  0  0  0  0
    1.5981   -4.6709   -0.9125 H   0  0  0  0  0
    4.0407   -1.1959   -3.1124 H   0  0  0  0  0
    2.3217   -1.9050   -5.1579 H   0  0  0  0  0
    0.2522   -2.2450   -1.5509 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  7 17  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 44  1  0  0  0
 17 26  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 26 27  1  0  0  0
 26 30  1  0  0  0
 27 28  2  0  0  0
 27 52  1  0  0  0
 28 29  1  0  0  0
 28 53  1  0  0  0
 29 30  2  0  0  0
 30 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL122008

>  <PubChem CID>
9931330

>  <Formula>
C23H24FN3O3

>  <Molecular Weight>
409.461000

>  <IUPAC Name>
5-[(Z)-[3-(4-fluorophenyl)-2-imidazol-1-yl-1-phenylpropylidene]amino]oxypentanoic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=NOCCCCC(=O)O)C(CC2=CC=C(C=C2)F)N3C=CN=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)/C(=N/OCCCCC(=O)O)/C(CC2=CC=C(C=C2)F)N3C=CN=C3

>  <InChI Std. ID>
InChI=1S/C23H24FN3O3/c24-20-11-9-18(10-12-20)16-21(27-14-13-25-17-27)23(19-6-2-1-3-7-19)26-30-15-5-4-8-22(28)29/h1-3,6-7,9-14,17,21H,4-5,8,15-16H2,(H,28,29)/b26-23-

>  <InChI Key>
AFEOYNXQWALUNY-RWEWTDSWSA-N

