
 CHEMBL115206

 58 61  0  0  0  0  0  0  0  0999 V2000
    3.1515    3.1418   -0.7039 C   0  0  0  0  0
    2.7655    1.7656   -0.1769 C   0  0  0  0  0
    3.5427    1.3567    1.0753 C   0  0  0  0  0
    5.0077    1.1922    0.8228 C   0  0  0  0  0
    5.8766    2.1727    0.9186 N   0  0  0  0  0
    7.1038    1.6540    0.5857 C   0  0  0  0  0
    7.0062    0.2844    0.3553 C   0  0  0  0  0
    5.6387    0.0285    0.4354 N   0  0  0  0  0
    4.9820   -1.2385    0.1158 C   0  0  0  0  0
    4.7064   -1.4621   -1.3587 C   0  0  0  0  0
    5.1275   -0.6012   -2.3768 C   0  0  0  0  0
    4.8595   -0.8913   -3.7216 C   0  0  0  0  0
    4.1338   -2.0332   -4.1117 C   0  0  0  0  0
    3.6887   -2.8747   -3.0837 C   0  0  0  0  0
    3.9891   -2.6078   -1.7374 C   0  0  0  0  0
    3.8163   -2.2674   -5.5488 C   0  0  0  0  0
    3.3394   -1.1550   -6.2921 C   0  0  0  0  0
    3.0205   -1.2332   -7.6494 C   0  0  0  0  0
    3.1492   -2.4391   -8.3146 C   0  0  0  0  0
    3.5943   -3.5586   -7.6153 C   0  0  0  0  0
    3.9371   -3.5007   -6.2409 C   0  0  0  0  0
    4.4139   -4.7490   -5.6441 C   0  0  0  0  0
    4.0229   -5.9701   -6.0659 N   0  0  0  0  0
    4.7455   -6.7495   -5.2556 N   0  0  0  0  0
    5.5344   -6.1175   -4.3818 N   0  0  0  0  0
    5.3456   -4.8286   -4.6358 N   0  0  0  0  0
    8.0117   -0.7005    0.0663 C   0  0  0  0  0
    7.8970   -1.9188    0.1027 O   0  0  0  0  0
    9.1912   -0.1593   -0.2811 O   0  0  0  0  0
    8.2946    2.5738    0.5558 C   0  0  0  0  0
    7.9222    3.9729    0.0488 C   0  0  0  0  0
    8.9537    2.6703    1.9311 C   0  0  0  0  0
    2.5085    3.4160   -1.5465 H   0  0  0  0  0
    4.1865    3.1614   -1.0593 H   0  0  0  0  0
    3.0379    3.9060    0.0716 H   0  0  0  0  0
    2.8989    1.0246   -0.9722 H   0  0  0  0  0
    1.6969    1.7786    0.0679 H   0  0  0  0  0
    3.1128    0.4403    1.4917 H   0  0  0  0  0
    3.4071    2.1221    1.8502 H   0  0  0  0  0
    4.0355   -1.2699    0.6634 H   0  0  0  0  0
    5.5928   -2.0500    0.5201 H   0  0  0  0  0
    5.6714    0.3166   -2.1593 H   0  0  0  0  0
    5.2287   -0.1947   -4.4723 H   0  0  0  0  0
    3.1065   -3.7640   -3.3125 H   0  0  0  0  0
    3.6516   -3.3166   -0.9819 H   0  0  0  0  0
    3.2014   -0.1920   -5.8007 H   0  0  0  0  0
    2.6695   -0.3504   -8.1781 H   0  0  0  0  0
    2.9043   -2.5158   -9.3699 H   0  0  0  0  0
    3.6865   -4.4987   -8.1598 H   0  0  0  0  0
    4.7047   -7.7644   -5.3003 H   0  0  0  0  0
    9.7493   -0.9420   -0.4629 H   0  0  0  0  0
    9.0340    2.1868   -0.1523 H   0  0  0  0  0
    7.2328    4.4822    0.7320 H   0  0  0  0  0
    7.4383    3.9166   -0.9329 H   0  0  0  0  0
    8.8154    4.5982   -0.0526 H   0  0  0  0  0
    8.2653    3.0852    2.6765 H   0  0  0  0  0
    9.8391    3.3143    1.8937 H   0  0  0  0  0
    9.2715    1.6836    2.2856 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  4  1  0  0  0
  3 38  1  0  0  0
  3 39  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 27  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 44  1  0  0  0
 15 45  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 47  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
 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 50  1  0  0  0
 25 26  2  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 51  1  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
 30 52  1  0  0  0
 31 53  1  0  0  0
 31 54  1  0  0  0
 31 55  1  0  0  0
 32 56  1  0  0  0
 32 57  1  0  0  0
 32 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL115206

>  <PubChem CID>
9910561

>  <Formula>
C24H26N6O2

>  <Molecular Weight>
430.512000

>  <IUPAC Name>
5-propan-2-yl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C24H26N6O2/c1-4-7-20-25-21(15(2)3)22(24(31)32)30(20)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)23-26-28-29-27-23/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)

>  <InChI Key>
HSFLACXCXSAPBI-UHFFFAOYSA-N

