
 CHEMBL61976

 57 60  0  0  0  0  0  0  0  0999 V2000
    5.8818    4.1167    0.8563 C   0  0  0  0  0
    6.3084    2.7009    0.5044 C   0  0  0  0  0
    5.3746    2.0692   -0.5293 C   0  0  0  0  0
    5.8031    0.6776   -0.8605 C   0  0  0  0  0
    6.6093    0.3967   -1.8618 N   0  0  0  0  0
    6.9211   -0.9317   -1.7499 C   0  0  0  0  0
    6.2936   -1.4881   -0.6460 C   0  0  0  0  0
    5.4817   -0.4712   -0.1562 N   0  0  0  0  0
    4.5781   -0.5510    0.9943 C   0  0  0  0  0
    3.1059   -0.5849    0.6241 C   0  0  0  0  0
    2.4407   -1.7309    0.1409 C   0  0  0  0  0
    1.0853   -1.6404   -0.2441 C   0  0  0  0  0
    0.3423   -0.4609   -0.0953 C   0  0  0  0  0
    0.9945    0.6473    0.4527 C   0  0  0  0  0
    2.3451    0.5848    0.8081 C   0  0  0  0  0
   -1.0678   -0.3707   -0.5295 C   0  0  0  0  0
   -1.3880    0.5826   -1.5238 C   0  0  0  0  0
   -2.6841    0.7225   -2.0223 C   0  0  0  0  0
   -3.6977   -0.0955   -1.5452 C   0  0  0  0  0
   -3.4123   -1.0475   -0.5672 C   0  0  0  0  0
   -2.1101   -1.1953   -0.0417 C   0  0  0  0  0
   -1.9140   -2.1977    1.0019 C   0  0  0  0  0
   -2.5824   -3.3666    1.0550 N   0  0  0  0  0
   -2.0627   -3.8872    2.1745 N   0  0  0  0  0
   -1.1569   -3.1369    2.8076 N   0  0  0  0  0
   -1.0589   -2.0405    2.0688 N   0  0  0  0  0
    3.1032   -3.0735    0.0134 C   0  0  0  0  0
    6.4588   -2.8218   -0.1217 C   0  0  0  0  0
    7.0971   -3.7237   -0.6580 O   0  0  0  0  0
    7.8786   -1.5359   -2.7212 C   0  0  0  0  0
    7.1729   -2.1651   -3.9114 C   0  0  0  0  0
    6.5657    4.5441    1.5972 H   0  0  0  0  0
    4.8727    4.1284    1.2802 H   0  0  0  0  0
    5.8933    4.7621   -0.0276 H   0  0  0  0  0
    6.3307    2.0987    1.4200 H   0  0  0  0  0
    7.3347    2.7209    0.1181 H   0  0  0  0  0
    5.4011    2.6677   -1.4494 H   0  0  0  0  0
    4.3412    2.0979   -0.1866 H   0  0  0  0  0
    4.7970    0.3144    1.6305 H   0  0  0  0  0
    4.8380   -1.4217    1.6011 H   0  0  0  0  0
    0.5943   -2.5205   -0.6597 H   0  0  0  0  0
    0.4522    1.5783    0.6072 H   0  0  0  0  0
    2.7940    1.4766    1.2405 H   0  0  0  0  0
   -0.6056    1.2215   -1.9328 H   0  0  0  0  0
   -2.8947    1.4645   -2.7883 H   0  0  0  0  0
   -4.7090    0.0032   -1.9311 H   0  0  0  0  0
   -4.2219   -1.6791   -0.2030 H   0  0  0  0  0
   -2.3406   -4.7989    2.5266 H   0  0  0  0  0
    3.7455   -3.1009   -0.8693 H   0  0  0  0  0
    2.3624   -3.8754   -0.0842 H   0  0  0  0  0
    3.6778   -3.3054    0.9145 H   0  0  0  0  0
    5.9778   -3.0310    0.8453 H   0  0  0  0  0
    8.5086   -2.2821   -2.2258 H   0  0  0  0  0
    8.5592   -0.7563   -3.0837 H   0  0  0  0  0
    6.5102   -2.9785   -3.5963 H   0  0  0  0  0
    7.9052   -2.5746   -4.6136 H   0  0  0  0  0
    6.5659   -1.4261   -4.4460 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 42  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
 28 29  2  0  0  0
 28 52  1  0  0  0
 30 31  1  0  0  0
 30 53  1  0  0  0
 30 54  1  0  0  0
 31 55  1  0  0  0
 31 56  1  0  0  0
 31 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL61976

>  <PubChem CID>
44303248

>  <Formula>
C24H26N6O

>  <Molecular Weight>
414.513000

>  <IUPAC Name>
5-ethyl-3-[[2-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-propylimidazole-4-carbaldehyde

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C)C=O)CC

>  <Isomeric SMILES>
CCCC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C)C=O)CC

>  <InChI Std. ID>
InChI=1S/C24H26N6O/c1-4-8-23-25-21(5-2)22(15-31)30(23)14-18-12-11-17(13-16(18)3)19-9-6-7-10-20(19)24-26-28-29-27-24/h6-7,9-13,15H,4-5,8,14H2,1-3H3,(H,26,27,28,29)

>  <InChI Key>
AKEYYLKOJLQOTE-UHFFFAOYSA-N

