
 CHEMBL283579

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.1393    0.9440   -4.6639 C   0  0  0  0  0
    1.1559    2.4478   -4.8922 C   0  0  0  0  0
    1.7569    3.1801   -3.7179 C   0  0  0  0  0
    1.0055    3.6205   -2.6304 C   0  0  0  0  0
    1.6526    4.2717   -1.5721 C   0  0  0  0  0
    3.0383    4.3881   -1.5985 C   0  0  0  0  0
    3.7304    3.9037   -2.7014 C   0  0  0  0  0
    3.1101    3.3225   -3.7562 N   0  0  0  0  0
    5.2238    4.0171   -2.7642 C   0  0  0  0  0
    0.8887    4.7001   -0.5197 O   0  0  0  0  0
    1.2526    5.9449    0.0805 C   0  0  0  0  0
    0.0395    6.8401    0.0837 C   0  0  0  0  0
   -0.9582    6.6987    1.0543 C   0  0  0  0  0
   -2.1050    7.5010    1.0148 C   0  0  0  0  0
   -2.2869    8.4611    0.0056 C   0  0  0  0  0
   -1.2716    8.6039   -0.9532 C   0  0  0  0  0
   -0.1315    7.7956   -0.9248 C   0  0  0  0  0
   -3.5077    9.2948   -0.0394 C   0  0  0  0  0
   -3.8153   10.1023    1.0766 C   0  0  0  0  0
   -4.9348   10.9376    1.0917 C   0  0  0  0  0
   -5.7726   10.9952   -0.0149 C   0  0  0  0  0
   -5.4929   10.2119   -1.1331 C   0  0  0  0  0
   -4.3769    9.3521   -1.1558 C   0  0  0  0  0
   -4.1863    8.5257   -2.3392 C   0  0  0  0  0
   -4.2604    8.9857   -3.6027 N   0  0  0  0  0
   -4.0272    7.8478   -4.2750 N   0  0  0  0  0
   -3.8668    6.7481   -3.5349 N   0  0  0  0  0
   -3.9626    7.1715   -2.2828 N   0  0  0  0  0
   -0.4459    3.4032   -2.5847 C   0  0  0  0  0
   -1.2398    3.8763   -3.3741 O   0  0  0  0  0
   -0.6923    2.5274   -1.5788 O   0  0  0  0  0
   -2.0681    2.2727   -1.3035 C   0  0  0  0  0
    0.6997    0.4349   -5.5274 H   0  0  0  0  0
    0.5528    0.6784   -3.7780 H   0  0  0  0  0
    2.1539    0.5554   -4.5231 H   0  0  0  0  0
    0.1486    2.8081   -5.1185 H   0  0  0  0  0
    1.7533    2.6664   -5.7863 H   0  0  0  0  0
    3.5875    4.8218   -0.7692 H   0  0  0  0  0
    5.6205    3.4704   -3.6258 H   0  0  0  0  0
    5.6759    3.5964   -1.8603 H   0  0  0  0  0
    5.5165    5.0675   -2.8575 H   0  0  0  0  0
    2.0761    6.4605   -0.4275 H   0  0  0  0  0
    1.5770    5.7480    1.1097 H   0  0  0  0  0
   -0.8621    5.9484    1.8355 H   0  0  0  0  0
   -2.8737    7.3530    1.7706 H   0  0  0  0  0
   -1.3700    9.3392   -1.7499 H   0  0  0  0  0
    0.6139    7.9097   -1.7082 H   0  0  0  0  0
   -3.1631   10.0923    1.9489 H   0  0  0  0  0
   -5.1465   11.5463    1.9673 H   0  0  0  0  0
   -6.6440   11.6451   -0.0100 H   0  0  0  0  0
   -6.1596   10.2597   -1.9925 H   0  0  0  0  0
   -3.9823    7.8159   -5.2895 H   0  0  0  0  0
   -2.7266    3.0829   -1.6258 H   0  0  0  0  0
   -2.1694    2.1603   -0.2200 H   0  0  0  0  0
   -2.3616    1.3314   -1.7785 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 46  1  0  0  0
 17 47  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 20 21  2  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 22 23  2  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 32 53  1  0  0  0
 32 54  1  0  0  0
 32 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL283579

>  <PubChem CID>
14950503

>  <Formula>
C24H23N5O3

>  <Molecular Weight>
429.480000

>  <IUPAC Name>
methyl 2-ethyl-6-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=C(C(=CC(=N1)C)OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC

>  <Isomeric SMILES>
CCC1=C(C(=CC(=N1)C)OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C24H23N5O3/c1-4-20-22(24(30)31-3)21(13-15(2)25-20)32-14-16-9-11-17(12-10-16)18-7-5-6-8-19(18)23-26-28-29-27-23/h5-13H,4,14H2,1-3H3,(H,26,27,28,29)

>  <InChI Key>
FGBBLBGTKRTNKK-UHFFFAOYSA-N

